1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine

C17H36N2 — CID 43751710

IUPAC1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-13(2)8-16(12-19(6)7)18-15-9-14(3)10-17(4,5)11-15/h13-16,18H,8-12H2,1-7H3
InChIKeyZSLFNTRQQXSWJS-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine (PubChem CID 43751710) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine
PubChem CID43751710
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-13(2)8-16(12-19(6)7)18-15-9-14(3)10-17(4,5)11-15/h13-16,18H,8-12H2,1-7H3
InChIKeyZSLFNTRQQXSWJS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine with MolForge

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
N,N,3-trimethyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-amine
CID 116534649
N',N'-diethyl-N-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 338131
N~1~-[(1S)-1-Cyclohexylethyl]-N~2~-undecylethane-1,2-diamine
CID 16076543

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine (CID 43751710) is 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine?
The InChIKey is ZSLFNTRQQXSWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13(2)8-16(12-19(6)7)18-15-9-14(3)10-17(4,5)11-15/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(3,3,5-trimethylcyclohexyl)pentane-1,2-diamine is sourced from PubChem (CID 43751710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).