[2-(4-cyclobutylphenyl)cycloheptyl]methanamine

C18H27N — CID 116507071

IUPAC[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H27N/c19-13-17-5-2-1-3-8-18(17)16-11-9-15(10-12-16)14-6-4-7-14/h9-12,14,17-18H,1-8,13,19H2
InChIKeyWGSKAFGHWPMISZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.58
Rot. Bonds3

About [2-(4-cyclobutylphenyl)cycloheptyl]methanamine

[2-(4-cyclobutylphenyl)cycloheptyl]methanamine (PubChem CID 116507071) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is [2-(4-cyclobutylphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
PubChem CID116507071
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H27N/c19-13-17-5-2-1-3-8-18(17)16-11-9-15(10-12-16)14-6-4-7-14/h9-12,14,17-18H,1-8,13,19H2
InChIKeyWGSKAFGHWPMISZ-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114520460
2-(4-cyclohexylphenyl)cyclopropan-1-amine
CID 82127011
[2-(4-propylphenyl)cyclopentyl]methanamine
CID 81010562
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
(2-pyrimidin-5-ylcycloheptyl)methanamine
CID 81010295
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
(4-cyclohexylphenyl)methanamine
CID 22246867
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclobutylphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(4-cyclobutylphenyl)cycloheptyl]methanamine (CID 116507071) is [2-(4-cyclobutylphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(4-cyclobutylphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(4-cyclobutylphenyl)cycloheptyl]methanamine is NCC1CCCCCC1c1ccc(C2CCC2)cc1.
What is the InChIKey of [2-(4-cyclobutylphenyl)cycloheptyl]methanamine?
The InChIKey is WGSKAFGHWPMISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c19-13-17-5-2-1-3-8-18(17)16-11-9-15(10-12-16)14-6-4-7-14/h9-12,14,17-18H,1-8,13,19H2.
What are the key properties of [2-(4-cyclobutylphenyl)cycloheptyl]methanamine?
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclobutylphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 116507071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).