N-(2-phenylethenyl)prop-2-en-1-amine

C11H13N — CID 66696805

IUPACN-(2-phenylethenyl)prop-2-en-1-amine
SMILESC=CCNC=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10,12H,1,9H2
InChIKeyNGGAVCUYZXJRFA-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.43
Rot. Bonds4

About N-(2-phenylethenyl)prop-2-en-1-amine

N-(2-phenylethenyl)prop-2-en-1-amine (PubChem CID 66696805) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-phenylethenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-phenylethenyl)prop-2-en-1-amine
PubChem CID66696805
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-(2-phenylethenyl)prop-2-en-1-amine
SMILESC=CCNC=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10,12H,1,9H2
InChIKeyNGGAVCUYZXJRFA-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-phenylethenyl)prop-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

CID 70567885
CID 70567885
CID 68656245
CID 68656245
N,N-bis(prop-2-enylamino)aniline
CID 70255939
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
[(Z)-2-prop-2-enylsulfanylethenyl]benzene
CID 11041259
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
CID 154707954
CID 154707954
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
CID 148518460
CID 148518460

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-phenylethenyl)prop-2-en-1-amine (CID 66696805) is N-(2-phenylethenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-phenylethenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-phenylethenyl)prop-2-en-1-amine is C=CCNC=Cc1ccccc1.
What is the InChIKey of N-(2-phenylethenyl)prop-2-en-1-amine?
The InChIKey is NGGAVCUYZXJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10,12H,1,9H2.
What are the key properties of N-(2-phenylethenyl)prop-2-en-1-amine?
N-(2-phenylethenyl)prop-2-en-1-amine has a molecular weight of 159.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenyl)prop-2-en-1-amine is sourced from PubChem (CID 66696805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).