N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine

C17H27N — CID 63842237

IUPACN-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H27N/c1-4-14(5-2)13(3)18-17(16-11-12-16)15-9-7-6-8-10-15/h6-10,13-14,16-18H,4-5,11-12H2,1-3H3
InChIKeyZVGWWSAUGPDZAE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine

N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine (PubChem CID 63842237) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
PubChem CID63842237
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
SMILESCCC(CC)C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H27N/c1-4-14(5-2)13(3)18-17(16-11-12-16)15-9-7-6-8-10-15/h6-10,13-14,16-18H,4-5,11-12H2,1-3H3
InChIKeyZVGWWSAUGPDZAE-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-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

1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202113
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine (CID 63842237) is N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine is CCC(CC)C(C)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine?
The InChIKey is ZVGWWSAUGPDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14(5-2)13(3)18-17(16-11-12-16)15-9-7-6-8-10-15/h6-10,13-14,16-18H,4-5,11-12H2,1-3H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine?
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 63842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).