(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine

C15H19N — CID 143769400

IUPAC(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)NC(C)c1ccccc1
InChIInChI=1S/C15H19N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-11,14,16H,1,3H2,2,4H3/b11-10-
InChIKeyIHRQKJVCWNDLDZ-KHPPLWFESA-N
MW213.32 g/mol
LogP3.98
Rot. Bonds5

About (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine

(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine (PubChem CID 143769400) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
PubChem CID143769400
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)NC(C)c1ccccc1
InChIInChI=1S/C15H19N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-11,14,16H,1,3H2,2,4H3/b11-10-
InChIKeyIHRQKJVCWNDLDZ-KHPPLWFESA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-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

ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(1R)-1-phenyl-N-(1-phenylethenyl)ethanamine
CID 89302645
1-(1-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910190
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
[(1R)-1-phenylethyl]thiourea
CID 696701
1-phenylethylcarbamodithioic acid
CID 3032776
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine (CID 143769400) is (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)NC(C)c1ccccc1.
What is the InChIKey of (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is IHRQKJVCWNDLDZ-KHPPLWFESA-N. The full InChI is InChI=1S/C15H19N/c1-12(2)10-11-13(3)16-14(4)15-8-6-5-7-9-15/h5-11,14,16H,1,3H2,2,4H3/b11-10-.
What are the key properties of (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine?
(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143769400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).