N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline

C13H15N3 — CID 129310654

IUPACN-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline
SMILESCN(/N=C/c1ccn(C)c1)c1ccccc1
InChIInChI=1S/C13H15N3/c1-15-9-8-12(11-15)10-14-16(2)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10+
InChIKeyAYNHREYMPJHLNE-GXDHUFHOSA-N
MW213.28 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline

N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline (PubChem CID 129310654) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline
PubChem CID129310654
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline
SMILESCN(/N=C/c1ccn(C)c1)c1ccccc1
InChIInChI=1S/C13H15N3/c1-15-9-8-12(11-15)10-14-16(2)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10+
InChIKeyAYNHREYMPJHLNE-GXDHUFHOSA-N
XLogP2.50
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline (CID 129310654) is N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline is CN(/N=C/c1ccn(C)c1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline?
The InChIKey is AYNHREYMPJHLNE-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H15N3/c1-15-9-8-12(11-15)10-14-16(2)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10+.
What are the key properties of N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline?
N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline has a molecular weight of 213.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 129310654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).