N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline

C14H17N3 — CID 170368788

IUPACN-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline
SMILESC/N=C1/C=C/C(=N\c2ccc(NC)cc2)CC1
InChIInChI=1S/C14H17N3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-5,7-9,15H,6,10H2,1-2H3/b16-12-,17-14+
InChIKeyVSJNOQALORJTBL-CCMYLADUSA-N
MW227.31 g/mol
LogP3.22
Rot. Bonds2

About N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline

N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline (PubChem CID 170368788) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline.

Molecular Properties

Compound NameN-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline
PubChem CID170368788
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline
SMILESC/N=C1/C=C/C(=N\c2ccc(NC)cc2)CC1
InChIInChI=1S/C14H17N3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-5,7-9,15H,6,10H2,1-2H3/b16-12-,17-14+
InChIKeyVSJNOQALORJTBL-CCMYLADUSA-N
XLogP3.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline?
The IUPAC name of N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline (CID 170368788) is N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline.
What is the SMILES notation for N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline?
The canonical SMILES for N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline is C/N=C1/C=C/C(=N\c2ccc(NC)cc2)CC1.
What is the InChIKey of N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline?
The InChIKey is VSJNOQALORJTBL-CCMYLADUSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-5,7-9,15H,6,10H2,1-2H3/b16-12-,17-14+.
What are the key properties of N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline?
N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyliminocyclohex-2-en-1-ylidene)amino]aniline is sourced from PubChem (CID 170368788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).