N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine

C17H31N — CID 81387835

IUPACN-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C2CC2)C1)C1CCCCC1
InChIInChI=1S/C17H31N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h13-18H,2-12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyWXNWWXKIGLTYEA-IGEOTXOUSA-N
MW249.44 g/mol
LogP4.51
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine

N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 81387835) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID81387835
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C2CC2)C1)C1CCCCC1
InChIInChI=1S/C17H31N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h13-18H,2-12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyWXNWWXKIGLTYEA-IGEOTXOUSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylpropyl)-3-cyclopropylcyclohexan-1-amine
CID 64622957
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine (CID 81387835) is N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine is C[C@H](NC1CCCC(C2CC2)C1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is WXNWWXKIGLTYEA-IGEOTXOUSA-N. The full InChI is InChI=1S/C17H31N/c1-13(14-6-3-2-4-7-14)18-17-9-5-8-16(12-17)15-10-11-15/h13-18H,2-12H2,1H3/t13-,16?,17?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine?
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 81387835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).