N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline

C11H14N2 — CID 118297015

IUPACN-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
SMILES[H]/N=C/C=C\N(C)c1cccc(C)c1
InChIInChI=1S/C11H14N2/c1-10-5-3-6-11(9-10)13(2)8-4-7-12/h3-9,12H,1-2H3/b8-4-,12-7+
InChIKeyIRNDFOUXVFKQEZ-OPVKSPCESA-N
MW174.25 g/mol
LogP2.59
Rot. Bonds3

About N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline

N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline (PubChem CID 118297015) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
PubChem CID118297015
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
SMILES[H]/N=C/C=C\N(C)c1cccc(C)c1
InChIInChI=1S/C11H14N2/c1-10-5-3-6-11(9-10)13(2)8-4-7-12/h3-9,12H,1-2H3/b8-4-,12-7+
InChIKeyIRNDFOUXVFKQEZ-OPVKSPCESA-N
XLogP2.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
CID 172568637
3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline
CID 159787033
CID 138691650
CID 138691650
N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
CID 145278615
CID 145278615
CID 70331685
CID 70331685
1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 148702605
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
N,3-dimethyl-N-(methylideneamino)aniline
CID 90709546
N,N-diethylaniline;N,N,3-trimethylaniline
CID 67788378

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline?
The IUPAC name of N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline (CID 118297015) is N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline is [H]/N=C/C=C\N(C)c1cccc(C)c1.
What is the InChIKey of N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline?
The InChIKey is IRNDFOUXVFKQEZ-OPVKSPCESA-N. The full InChI is InChI=1S/C11H14N2/c1-10-5-3-6-11(9-10)13(2)8-4-7-12/h3-9,12H,1-2H3/b8-4-,12-7+.
What are the key properties of N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline?
N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline has a molecular weight of 174.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline is sourced from PubChem (CID 118297015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).