3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline

C14H19N3 — CID 176940536

IUPAC3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline
SMILESCc1ccc(N)cc1/C(N)=C/C=N/CC1CC1
InChIInChI=1S/C14H19N3/c1-10-2-5-12(15)8-13(10)14(16)6-7-17-9-11-3-4-11/h2,5-8,11H,3-4,9,15-16H2,1H3/b14-6-,17-7+
InChIKeyBGFMWFVGVJFNSC-LAIVJMRMSA-N
MW229.33 g/mol
LogP2.36
Rot. Bonds4

About 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline

3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline (PubChem CID 176940536) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline
PubChem CID176940536
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline
SMILESCc1ccc(N)cc1/C(N)=C/C=N/CC1CC1
InChIInChI=1S/C14H19N3/c1-10-2-5-12(15)8-13(10)14(16)6-7-17-9-11-3-4-11/h2,5-8,11H,3-4,9,15-16H2,1H3/b14-6-,17-7+
InChIKeyBGFMWFVGVJFNSC-LAIVJMRMSA-N
XLogP2.36
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(cyclopropylmethylimino)-1-(2-methyl-5-nitrophenyl)prop-1-en-1-amine
CID 176940742
3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
CID 176940640
3-(1-aminoethenyl)-4-methylaniline
CID 134441825
N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide
CID 176940484
(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
N-[3-[(Z)-1-amino-3-ethyliminoprop-1-enyl]-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940279
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline?
The IUPAC name of 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline (CID 176940536) is 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline.
What is the SMILES notation for 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline?
The canonical SMILES for 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline is Cc1ccc(N)cc1/C(N)=C/C=N/CC1CC1.
What is the InChIKey of 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline?
The InChIKey is BGFMWFVGVJFNSC-LAIVJMRMSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-2-5-12(15)8-13(10)14(16)6-7-17-9-11-3-4-11/h2,5-8,11H,3-4,9,15-16H2,1H3/b14-6-,17-7+.
What are the key properties of 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline?
3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline has a molecular weight of 229.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline is sourced from PubChem (CID 176940536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).