N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

C20H31N — CID 107191403

IUPACN-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CCCC1C
InChIInChI=1S/C20H31N/c1-3-14-21-20(17-13-6-8-15(17)2)19-12-5-4-11-18(19)16-9-7-10-16/h4-5,11-12,15-17,20-21H,3,6-10,13-14H2,1-2H3
InChIKeyLGLYAFSZBOYUNS-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.43
Rot. Bonds6

About N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine

N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107191403) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107191403
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C1CCC1)C1CCCC1C
InChIInChI=1S/C20H31N/c1-3-14-21-20(17-13-6-8-15(17)2)19-12-5-4-11-18(19)16-9-7-10-16/h4-5,11-12,15-17,20-21H,3,6-10,13-14H2,1-2H3
InChIKeyLGLYAFSZBOYUNS-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[(2,3-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188961
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine (CID 107191403) is N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccccc1C1CCC1)C1CCCC1C.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is LGLYAFSZBOYUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-14-21-20(17-13-6-8-15(17)2)19-12-5-4-11-18(19)16-9-7-10-16/h4-5,11-12,15-17,20-21H,3,6-10,13-14H2,1-2H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine?
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107191403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).