4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine

C15H30N2 — CID 62314944

IUPAC4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CC(NC2CCC(N)CC2)CC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-11-8-14(10-15(2,3)9-11)17-13-6-4-12(16)5-7-13/h11-14,17H,4-10,16H2,1-3H3
InChIKeyKTOILAAFSGDOMT-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.06
Rot. Bonds2

About 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine

4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 62314944) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID62314944
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CC(NC2CCC(N)CC2)CC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-11-8-14(10-15(2,3)9-11)17-13-6-4-12(16)5-7-13/h11-14,17H,4-10,16H2,1-3H3
InChIKeyKTOILAAFSGDOMT-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
1-cyclohexyl-2-(3,3,5-trimethylcyclohexyl)hydrazine
CID 70127038
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
CID 115923407
4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 130609640
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine (CID 62314944) is 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine is CC1CC(NC2CCC(N)CC2)CC(C)(C)C1.
What is the InChIKey of 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is KTOILAAFSGDOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11-8-14(10-15(2,3)9-11)17-13-6-4-12(16)5-7-13/h11-14,17H,4-10,16H2,1-3H3.
What are the key properties of 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine?
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).