N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane

C77H165N7O2 — CID 159874629

IUPACN-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane
SMILESCC.CC.CC(C)(C)CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)NCCCNC(C)(C)C.C[C@@H]1CCCN(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C16H31NO.C15H29NO.C11H26N2.C11H25N.2C10H21N.2C2H6/c1-15(2,3)10-7-14(18)17-11-8-13(9-12-17)16(4,5)6;1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;2*1-9-6-5-7-11(8-9)10(2,3)4;2*1-2/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12-13H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*9H,5-8H2,1-4H3;2*1-2H3/t;;;;2*9-;;/m....10../s1
InChIKeyNSTANMGOFIINNV-DOEFWXNJSA-N
MW1221.21 g/mol
LogP20.24
Rot. Bonds10

About N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane

N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane (PubChem CID 159874629) has the molecular formula C77H165N7O2 and a molecular weight of 1221.21 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane
PubChem CID159874629
Molecular FormulaC77H165N7O2
Molecular Weight1221.21 g/mol
Exact Mass1220.30
IUPAC NameN-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane
SMILESCC.CC.CC(C)(C)CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)NCCCNC(C)(C)C.C[C@@H]1CCCN(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C16H31NO.C15H29NO.C11H26N2.C11H25N.2C10H21N.2C2H6/c1-15(2,3)10-7-14(18)17-11-8-13(9-12-17)16(4,5)6;1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;2*1-9-6-5-7-11(8-9)10(2,3)4;2*1-2/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12-13H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*9H,5-8H2,1-4H3;2*1-2H3/t;;;;2*9-;;/m....10../s1
InChIKeyNSTANMGOFIINNV-DOEFWXNJSA-N
XLogP20.24
TPSA83.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.21
LogP ≤ 520.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
CID 91373160
3,3-Dimethyl-1-[4-[3-[1-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059289
1-[4-[3-[1-[3-[4-[3-(1-Tert-butylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 132059290
3,3-Dimethyl-1-[4-[3-[1-[3-(4-piperidin-4-ylpiperidin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059291
1-[4-[3-[1-[3-[4-(1-Tert-butylpiperidin-4-yl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 132059292
4-methyl-N-[[1-[2-methyl-6-(4-piperidin-4-ylpiperidin-1-yl)hexan-2-yl]piperidin-4-yl]methyl]pentanamide
CID 132059409
N-[6-[[2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]hexyl]-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 140365599
9-(1-Acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
CID 143778820
1-Methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one
CID 157317543
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
CID 159799361
8-Tert-butyl-6-azaspiro[2.5]octane;3-tert-butylazepan-2-one;4-tert-butylpiperidine;4-tert-butyl-1-propylpiperidine;4-tert-butyl-2,2,6,6-tetramethylpiperidine
CID 160261631
N-tert-butyl-2,2-dimethylpropanamide;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;1,3-ditert-butylcyclobutane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-methylpropane
CID 163831962

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane?
The IUPAC name of N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane (CID 159874629) is N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane.
What is the SMILES notation for N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane?
The canonical SMILES for N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane is CC.CC.CC(C)(C)CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)NCCCNC(C)(C)C.C[C@@H]1CCCN(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane?
The InChIKey is NSTANMGOFIINNV-DOEFWXNJSA-N. The full InChI is InChI=1S/C16H31NO.C15H29NO.C11H26N2.C11H25N.2C10H21N.2C2H6/c1-15(2,3)10-7-14(18)17-11-8-13(9-12-17)16(4,5)6;1-14(2,3)11-13(17)16-9-7-12(8-10-16)15(4,5)6;1-10(2,3)12-8-7-9-13-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;2*1-9-6-5-7-11(8-9)10(2,3)4;2*1-2/h13H,7-12H2,1-6H3;12H,7-11H2,1-6H3;12-13H,7-9H2,1-6H3;12H,7-9H2,1-6H3;2*9H,5-8H2,1-4H3;2*1-2H3/t;;;;2*9-;;/m....10../s1.
What are the key properties of N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane?
N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane has a molecular weight of 1221.21 g/mol, XLogP of 20.24, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethylpentan-1-amine;(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-1-one;N,N'-ditert-butylpropane-1,3-diamine;ethane is sourced from PubChem (CID 159874629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).