N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine

C18H29N — CID 63420427

IUPACN-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18(17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3
InChIKeyHZGVAVUVPVQLCW-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.94
Rot. Bonds9

About N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine

N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine (PubChem CID 63420427) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
PubChem CID63420427
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18(17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3
InChIKeyHZGVAVUVPVQLCW-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-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-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
CID 43767516
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
CID 54928140
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine (CID 63420427) is N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine?
The InChIKey is HZGVAVUVPVQLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-9-15(4-2)14-19-18(17-12-13-17)16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine?
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 63420427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).