4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine

C16H31N — CID 65082981

IUPAC4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N/c1-3-14-5-4-11-16(17,12-10-14)15-8-6-13(2)7-9-15/h13-15H,3-12,17H2,1-2H3
InChIKeyMFJPFLBFMCAWCT-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.50
Rot. Bonds2

About 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine

4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine (PubChem CID 65082981) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine
PubChem CID65082981
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N/c1-3-14-5-4-11-16(17,12-10-14)15-8-6-13(2)7-9-15/h13-15H,3-12,17H2,1-2H3
InChIKeyMFJPFLBFMCAWCT-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-4-propylcyclohexan-1-amine
CID 64750303
1-cyclohexyl-4-propylcycloheptan-1-amine
CID 65086734
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 64748383
4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
4-tert-butyl-1-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64750147
1-ethyl-4-methylcyclooctane;methane
CID 159989571
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
CID 65090860
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine (CID 65082981) is 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine is CCC1CCCC(N)(C2CCC(C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine?
The InChIKey is MFJPFLBFMCAWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-14-5-4-11-16(17,12-10-14)15-8-6-13(2)7-9-15/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine?
4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methylcyclohexyl)cycloheptan-1-amine is sourced from PubChem (CID 65082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).