N-methyl-N-(pyrrol-2-ylideneamino)methanamine

C6H9N3 — CID 90732869

IUPACN-methyl-N-(pyrrol-2-ylideneamino)methanamine
SMILESCN(C)N=C1C=CC=N1
InChIInChI=1S/C6H9N3/c1-9(2)8-6-4-3-5-7-6/h3-5H,1-2H3
InChIKeyWHQKVSQBJVAMAD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.50
Rot. Bonds1

About N-methyl-N-(pyrrol-2-ylideneamino)methanamine

N-methyl-N-(pyrrol-2-ylideneamino)methanamine (PubChem CID 90732869) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-methyl-N-(pyrrol-2-ylideneamino)methanamine.

Molecular Properties

Compound NameN-methyl-N-(pyrrol-2-ylideneamino)methanamine
PubChem CID90732869
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-methyl-N-(pyrrol-2-ylideneamino)methanamine
SMILESCN(C)N=C1C=CC=N1
InChIInChI=1S/C6H9N3/c1-9(2)8-6-4-3-5-7-6/h3-5H,1-2H3
InChIKeyWHQKVSQBJVAMAD-UHFFFAOYSA-N
XLogP0.50
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(pyrrol-2-ylideneamino)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-pyrrolimin
CID 123476235
N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
CID 57267648
N,2-dimethylpyridazin-3-imine
CID 70658701
(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine
CID 118970756

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrol-2-ylideneamino)methanamine?
The IUPAC name of N-methyl-N-(pyrrol-2-ylideneamino)methanamine (CID 90732869) is N-methyl-N-(pyrrol-2-ylideneamino)methanamine.
What is the SMILES notation for N-methyl-N-(pyrrol-2-ylideneamino)methanamine?
The canonical SMILES for N-methyl-N-(pyrrol-2-ylideneamino)methanamine is CN(C)N=C1C=CC=N1.
What is the InChIKey of N-methyl-N-(pyrrol-2-ylideneamino)methanamine?
The InChIKey is WHQKVSQBJVAMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9(2)8-6-4-3-5-7-6/h3-5H,1-2H3.
What are the key properties of N-methyl-N-(pyrrol-2-ylideneamino)methanamine?
N-methyl-N-(pyrrol-2-ylideneamino)methanamine has a molecular weight of 123.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrol-2-ylideneamino)methanamine is sourced from PubChem (CID 90732869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).