N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine

C13H17N — CID 58691176

IUPACN-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine
SMILESC=CC(NCC1CC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-2-13(14-10-11-8-9-11)12-6-4-3-5-7-12/h2-7,11,13-14H,1,8-10H2
InChIKeyYQGIEXIMKVTKFJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.91
Rot. Bonds5

About N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine

N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine (PubChem CID 58691176) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine
PubChem CID58691176
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine
SMILESC=CC(NCC1CC1)c1ccccc1
InChIInChI=1S/C13H17N/c1-2-13(14-10-11-8-9-11)12-6-4-3-5-7-12/h2-7,11,13-14H,1,8-10H2
InChIKeyYQGIEXIMKVTKFJ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-1-phenylprop-2-en-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

(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
CID 70188809
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
penta-1,4-dien-3-ylbenzene
CID 15879286
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine (CID 58691176) is N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine is C=CC(NCC1CC1)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine?
The InChIKey is YQGIEXIMKVTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-13(14-10-11-8-9-11)12-6-4-3-5-7-12/h2-7,11,13-14H,1,8-10H2.
What are the key properties of N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine?
N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine is sourced from PubChem (CID 58691176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).