N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine

C15H23N3 — CID 144882762

IUPACN-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine
SMILESC=CC/C(=N\NCC)c1ccc(CN)cc1CC
InChIInChI=1S/C15H23N3/c1-4-7-15(18-17-6-3)14-9-8-12(11-16)10-13(14)5-2/h4,8-10,17H,1,5-7,11,16H2,2-3H3/b18-15+
InChIKeyNNPIKUQZZSSIFF-OBGWFSINSA-N
MW245.37 g/mol
LogP2.60
Rot. Bonds7

About N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine

N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine (PubChem CID 144882762) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine.

Molecular Properties

Compound NameN-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine
PubChem CID144882762
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine
SMILESC=CC/C(=N\NCC)c1ccc(CN)cc1CC
InChIInChI=1S/C15H23N3/c1-4-7-15(18-17-6-3)14-9-8-12(11-16)10-13(14)5-2/h4,8-10,17H,1,5-7,11,16H2,2-3H3/b18-15+
InChIKeyNNPIKUQZZSSIFF-OBGWFSINSA-N
XLogP2.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine 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

(4-ethanimidoyl-3-ethylphenyl)methanamine
CID 144882906
4-(aminomethyl)-2-(methoxymethyl)benzoic acid;prop-2-enyl formate
CID 178007357
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
(3-ethyl-4-nitrophenyl)methanamine
CID 168908904
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
CID 172923604
(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine
CID 145471774
2-bromo-1-[2-ethyl-4-(hydroxymethyl)phenyl]propan-1-one
CID 134618730
[4-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol
CID 23008874
4-(aminomethyl)phthalic acid;hydrochloride
CID 138040223
2-bromo-1-[4-(bromomethyl)-2-ethylphenyl]propan-1-one
CID 131414644
[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
CID 143341982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine?
The IUPAC name of N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine (CID 144882762) is N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine.
What is the SMILES notation for N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine?
The canonical SMILES for N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine is C=CC/C(=N\NCC)c1ccc(CN)cc1CC.
What is the InChIKey of N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine?
The InChIKey is NNPIKUQZZSSIFF-OBGWFSINSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-7-15(18-17-6-3)14-9-8-12(11-16)10-13(14)5-2/h4,8-10,17H,1,5-7,11,16H2,2-3H3/b18-15+.
What are the key properties of N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine?
N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(aminomethyl)-2-ethylphenyl]but-3-enylideneamino]ethanamine is sourced from PubChem (CID 144882762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).