N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

C17H36N2 — CID 62258323

IUPACN-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(N(C)CC(C)(C)CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-14-9-8-10-15(11-14)19(7)13-17(5,6)12-18-16(2,3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyJOLMZDYPAFCHEP-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds5

About N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62258323) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
PubChem CID62258323
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(N(C)CC(C)(C)CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-14-9-8-10-15(11-14)19(7)13-17(5,6)12-18-16(2,3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyJOLMZDYPAFCHEP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827314
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
CID 79408724
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
CID 63912025
N-cyclohexyl-N'-cyclopropyl-N,2,2-trimethylpropane-1,3-diamine
CID 62262681
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine
CID 62428982
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
3-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclobutylamino]propan-1-ol
CID 102870871
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanamide
CID 63908983

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (CID 62258323) is N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is CC1CCCC(N(C)CC(C)(C)CNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is JOLMZDYPAFCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14-9-8-10-15(11-14)19(7)13-17(5,6)12-18-16(2,3)4/h14-15,18H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62258323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).