N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one

C132H279N15O4 — CID 158542238

IUPACN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2.C10H21NO.C10H20O/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;7H2,1-6H3,(H,11,12);7H2,1-6H3
InChIKeyHORAFARTXZQCMM-UHFFFAOYSA-N
MW2140.78 g/mol
LogP28.84
Rot. Bonds18

About N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one

N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one (PubChem CID 158542238) has the molecular formula C132H279N15O4 and a molecular weight of 2140.78 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one
PubChem CID158542238
Molecular FormulaC132H279N15O4
Molecular Weight2140.78 g/mol
Exact Mass2139.21
IUPAC NameN-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2.C10H21NO.C10H20O/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;7H2,1-6H3,(H,11,12);7H2,1-6H3
InChIKeyHORAFARTXZQCMM-UHFFFAOYSA-N
XLogP28.84
TPSA127.57 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.78
LogP ≤ 528.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one?
The IUPAC name of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one (CID 158542238) is N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one.
What is the SMILES notation for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one?
The canonical SMILES for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)NC(C)(C)C.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one?
The InChIKey is HORAFARTXZQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2.C10H21NO.C10H20O/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2,3)7-8(12)11-10(4,5)6;1-9(2,3)7-8(11)10(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;7H2,1-6H3,(H,11,12);7H2,1-6H3.
What are the key properties of N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one?
N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 2140.78 g/mol, XLogP of 28.84, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 158542238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).