2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine

C18H27N — CID 116518607

IUPAC2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(C2CC2c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-6-13-9-10-18(19)17(11-13)16-12-15(16)14-7-4-3-5-8-14/h3-5,7-8,13,15-18H,2,6,9-12,19H2,1H3
InChIKeyHCIDCMUUJCLDSK-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.33
Rot. Bonds4

About 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine

2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine (PubChem CID 116518607) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
PubChem CID116518607
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(C2CC2c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-6-13-9-10-18(19)17(11-13)16-12-15(16)14-7-4-3-5-8-14/h3-5,7-8,13,15-18H,2,6,9-12,19H2,1H3
InChIKeyHCIDCMUUJCLDSK-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
CID 116518670
[(2-phenylcyclopropyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232379
(4-propylcyclohexyl)benzene
CID 155887669
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
CID 81014515

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine (CID 116518607) is 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(C2CC2c2ccccc2)C1.
What is the InChIKey of 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine?
The InChIKey is HCIDCMUUJCLDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-6-13-9-10-18(19)17(11-13)16-12-15(16)14-7-4-3-5-8-14/h3-5,7-8,13,15-18H,2,6,9-12,19H2,1H3.
What are the key properties of 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine?
2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 116518607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).