N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide

C16H24N2O — CID 63765721

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(4-2,12-17)18-14(19)16(10-11-16)13-8-6-5-7-9-13/h5-9H,3-4,10-12,17H2,1-2H3,(H,18,19)
InChIKeyUYUTWKAJBDIQGG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 63765721) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID63765721
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(4-2,12-17)18-14(19)16(10-11-16)13-8-6-5-7-9-13/h5-9H,3-4,10-12,17H2,1-2H3,(H,18,19)
InChIKeyUYUTWKAJBDIQGG-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide 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-(1-amino-3-methylpentan-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 106164789
N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 114308184
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 110476181
N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-ethylbutanoic acid
CID 79813326

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 63765721) is N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide is CCC(CC)(CN)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is UYUTWKAJBDIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(4-2,12-17)18-14(19)16(10-11-16)13-8-6-5-7-9-13/h5-9H,3-4,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 63765721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).