N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine

C16H31N — CID 81385364

IUPACN-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)C2CCCCC2)C(C)C1
InChIInChI=1S/C16H31N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h12-17H,4-11H2,1-3H3/t12?,13?,14-,16?/m1/s1
InChIKeyHWAOQBHAUDYGGD-SWAPUOLTSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine

N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 81385364) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID81385364
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@H](C)C2CCCCC2)C(C)C1
InChIInChI=1S/C16H31N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h12-17H,4-11H2,1-3H3/t12?,13?,14-,16?/m1/s1
InChIKeyHWAOQBHAUDYGGD-SWAPUOLTSA-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-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489
N-[(1R)-1-cyclobutylethyl]-2-methylcyclopentan-1-amine
CID 130671622
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
CID 43765373
N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130500255

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine (CID 81385364) is N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(N[C@H](C)C2CCCCC2)C(C)C1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is HWAOQBHAUDYGGD-SWAPUOLTSA-N. The full InChI is InChI=1S/C16H31N/c1-12-9-10-16(13(2)11-12)17-14(3)15-7-5-4-6-8-15/h12-17H,4-11H2,1-3H3/t12?,13?,14-,16?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine?
N-[(1R)-1-cyclohexylethyl]-2,4-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-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81385364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).