N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline

C14H17N3 — CID 2321749

IUPACN,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline
SMILESCN(C)c1ccc(/N=C/c2cccn2C)cc1
InChIInChI=1S/C14H17N3/c1-16(2)13-8-6-12(7-9-13)15-11-14-5-4-10-17(14)3/h4-11H,1-3H3/b15-11+
InChIKeyXORTWRWOUPGVIK-RVDMUPIBSA-N
MW227.31 g/mol
LogP2.84
Rot. Bonds3

About N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline

N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline (PubChem CID 2321749) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline
PubChem CID2321749
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline
SMILESCN(C)c1ccc(/N=C/c2cccn2C)cc1
InChIInChI=1S/C14H17N3/c1-16(2)13-8-6-12(7-9-13)15-11-14-5-4-10-17(14)3/h4-11H,1-3H3/b15-11+
InChIKeyXORTWRWOUPGVIK-RVDMUPIBSA-N
XLogP2.84
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline?
The IUPAC name of N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline (CID 2321749) is N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline is CN(C)c1ccc(/N=C/c2cccn2C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline?
The InChIKey is XORTWRWOUPGVIK-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H17N3/c1-16(2)13-8-6-12(7-9-13)15-11-14-5-4-10-17(14)3/h4-11H,1-3H3/b15-11+.
What are the key properties of N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline?
N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-methylpyrrol-2-yl)methylideneamino]aniline is sourced from PubChem (CID 2321749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).