N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine

C18H35N — CID 65091327

IUPACN-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NC(C)C2CCCCC2)CC1
InChIInChI=1S/C18H35N/c1-14(2)16-10-7-11-18(13-12-16)19-15(3)17-8-5-4-6-9-17/h14-19H,4-13H2,1-3H3
InChIKeyJENQCYOXIIUPPB-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds4

About N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine

N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091327) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091327
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NC(C)C2CCCCC2)CC1
InChIInChI=1S/C18H35N/c1-14(2)16-10-7-11-18(13-12-16)19-15(3)17-8-5-4-6-9-17/h14-19H,4-13H2,1-3H3
InChIKeyJENQCYOXIIUPPB-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine (CID 65091327) is N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NC(C)C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is JENQCYOXIIUPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-14(2)16-10-7-11-18(13-12-16)19-15(3)17-8-5-4-6-9-17/h14-19H,4-13H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine?
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).