4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine

C72H155N7O — CID 158379207

IUPAC4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine
SMILESCC(C)C(C)C1CCN(C)CC1.CC(C)CC1CCCN(C)C1.CC(C)CCCCN(C)C.CC(C)CCCN(C)C.CCN1CCC(CC(C)C)CC1.CN1CCC(C(C)(C)C)CC1(C)C.COCCN1CCC(CC(C)C)C1
InChIInChI=1S/C12H25N.C11H23NO.2C11H23N.C10H21N.C9H21N.C8H19N/c1-11(2,3)10-7-8-13(6)12(4,5)9-10;1-10(2)8-11-4-5-12(9-11)6-7-13-3;1-9(2)10(3)11-5-7-12(4)8-6-11;1-4-12-7-5-11(6-8-12)9-10(2)3;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4/h10H,7-9H2,1-6H3;10-11H,4-9H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyGVOQWYRCXPLTEK-UHFFFAOYSA-N
MW1135.08 g/mol
LogP17.27
Rot. Bonds21

About 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine

4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine (PubChem CID 158379207) has the molecular formula C72H155N7O and a molecular weight of 1135.08 g/mol. Its IUPAC name is 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine
PubChem CID158379207
Molecular FormulaC72H155N7O
Molecular Weight1135.08 g/mol
Exact Mass1134.23
IUPAC Name4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine
SMILESCC(C)C(C)C1CCN(C)CC1.CC(C)CC1CCCN(C)C1.CC(C)CCCCN(C)C.CC(C)CCCN(C)C.CCN1CCC(CC(C)C)CC1.CN1CCC(C(C)(C)C)CC1(C)C.COCCN1CCC(CC(C)C)C1
InChIInChI=1S/C12H25N.C11H23NO.2C11H23N.C10H21N.C9H21N.C8H19N/c1-11(2,3)10-7-8-13(6)12(4,5)9-10;1-10(2)8-11-4-5-12(9-11)6-7-13-3;1-9(2)10(3)11-5-7-12(4)8-6-11;1-4-12-7-5-11(6-8-12)9-10(2)3;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4/h10H,7-9H2,1-6H3;10-11H,4-9H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyGVOQWYRCXPLTEK-UHFFFAOYSA-N
XLogP17.27
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.08
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine?
The IUPAC name of 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine (CID 158379207) is 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine is CC(C)C(C)C1CCN(C)CC1.CC(C)CC1CCCN(C)C1.CC(C)CCCCN(C)C.CC(C)CCCN(C)C.CCN1CCC(CC(C)C)CC1.CN1CCC(C(C)(C)C)CC1(C)C.COCCN1CCC(CC(C)C)C1.
What is the InChIKey of 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine?
The InChIKey is GVOQWYRCXPLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H23NO.2C11H23N.C10H21N.C9H21N.C8H19N/c1-11(2,3)10-7-8-13(6)12(4,5)9-10;1-10(2)8-11-4-5-12(9-11)6-7-13-3;1-9(2)10(3)11-5-7-12(4)8-6-11;1-4-12-7-5-11(6-8-12)9-10(2)3;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)7-5-6-8-10(3)4;1-8(2)6-5-7-9(3)4/h10H,7-9H2,1-6H3;10-11H,4-9H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine?
4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine has a molecular weight of 1135.08 g/mol, XLogP of 17.27, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,2-trimethylpiperidine;1-ethyl-4-(2-methylpropyl)piperidine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-methyl-4-(3-methylbutan-2-yl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;N,N,5-trimethylhexan-1-amine;N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 158379207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).