N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine

C16H31N — CID 64747002

IUPACN-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H31N/c1-4-14-6-9-15(10-7-14)17-16-8-5-12(2)13(3)11-16/h12-17H,4-11H2,1-3H3
InChIKeyQTFBMTUFUWQNJP-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine

N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64747002) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64747002
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H31N/c1-4-14-6-9-15(10-7-14)17-16-8-5-12(2)13(3)11-16/h12-17H,4-11H2,1-3H3
InChIKeyQTFBMTUFUWQNJP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
CID 112753327
N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64745242
N-(4-ethylcyclohexyl)-1,2-dimethylpiperidin-4-amine
CID 79032288
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
N-cyclopent-3-en-1-yl-4-ethylcyclohexan-1-amine
CID 115728387
N-(4-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81298687
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
CID 130815534
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine (CID 64747002) is N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine is CCC1CCC(NC2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is QTFBMTUFUWQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-14-6-9-15(10-7-14)17-16-8-5-12(2)13(3)11-16/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64747002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).