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

C11H15N3 — CID 176940640

IUPAC3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
SMILESC/N=C/C=C(\N)c1cc(N)ccc1C
InChIInChI=1S/C11H15N3/c1-8-3-4-9(12)7-10(8)11(13)5-6-14-2/h3-7H,12-13H2,1-2H3/b11-5-,14-6+
InChIKeyCZOHZBVZPXDATF-UDTAFQIDSA-N
MW189.26 g/mol
LogP1.58
Rot. Bonds2

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

3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline (PubChem CID 176940640) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
PubChem CID176940640
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
SMILESC/N=C/C=C(\N)c1cc(N)ccc1C
InChIInChI=1S/C11H15N3/c1-8-3-4-9(12)7-10(8)11(13)5-6-14-2/h3-7H,12-13H2,1-2H3/b11-5-,14-6+
InChIKeyCZOHZBVZPXDATF-UDTAFQIDSA-N
XLogP1.58
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline?
The IUPAC name of 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline (CID 176940640) is 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline.
What is the SMILES notation for 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline?
The canonical SMILES for 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline is C/N=C/C=C(\N)c1cc(N)ccc1C.
What is the InChIKey of 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline?
The InChIKey is CZOHZBVZPXDATF-UDTAFQIDSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-3-4-9(12)7-10(8)11(13)5-6-14-2/h3-7H,12-13H2,1-2H3/b11-5-,14-6+.
What are the key properties of 3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline?
3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline has a molecular weight of 189.26 g/mol, XLogP of 1.58, 2 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-methyliminoprop-1-enyl]-4-methylaniline is sourced from PubChem (CID 176940640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).