3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine

C19H29N — CID 114606245

IUPAC3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C19H29N/c1-2-12-20-19-11-5-10-18(14-19)17-9-4-8-16(13-17)15-6-3-7-15/h4,8-9,13,15,18-20H,2-3,5-7,10-12,14H2,1H3
InChIKeyQGANYQXBVABDQK-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.98
Rot. Bonds5

About 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine

3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine (PubChem CID 114606245) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
PubChem CID114606245
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C19H29N/c1-2-12-20-19-11-5-10-18(14-19)17-9-4-8-16(13-17)15-6-3-7-15/h4,8-9,13,15,18-20H,2-3,5-7,10-12,14H2,1H3
InChIKeyQGANYQXBVABDQK-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
CID 116518288
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 103396741
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine
CID 142251322
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide
CID 22869139

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine (CID 114606245) is 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine?
The InChIKey is QGANYQXBVABDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-12-20-19-11-5-10-18(14-19)17-9-4-8-16(13-17)15-6-3-7-15/h4,8-9,13,15,18-20H,2-3,5-7,10-12,14H2,1H3.
What are the key properties of 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine?
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114606245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).