(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine

C11H15N3 — CID 170714570

IUPAC(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cccc(CN)c1
InChIInChI=1S/C11H15N3/c1-14-8-11(7-13)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12-13H2,1H3/b11-7+,14-8+
InChIKeyBJLGQBXTIXMPPI-HPIZBCMHSA-N
MW189.26 g/mol
LogP1.15
Rot. Bonds3

About (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine

(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 170714570) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
PubChem CID170714570
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cccc(CN)c1
InChIInChI=1S/C11H15N3/c1-14-8-11(7-13)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12-13H2,1H3/b11-7+,14-8+
InChIKeyBJLGQBXTIXMPPI-HPIZBCMHSA-N
XLogP1.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-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

2-[3-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
CID 174319324
ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate
CID 144862390
[3-[1-[[(E)-2-bromobut-2-enylidene]amino]ethenyl]phenyl]methanamine
CID 143940090
3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
CID 174041792
ethyl 3-(aminomethyl)benzoate
CID 15079215
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-[1-[[(E)-2-propoxybut-2-enylidene]amino]ethenyl]phenyl]methanamine
CID 143940140

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine (CID 170714570) is (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)c1cccc(CN)c1.
What is the InChIKey of (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is BJLGQBXTIXMPPI-HPIZBCMHSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-8-11(7-13)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12-13H2,1H3/b11-7+,14-8+.
What are the key properties of (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
(Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-(aminomethyl)phenyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 170714570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).