N-methyl-N'-(1H-pyrrol-3-yl)methanediamine

C6H11N3 — CID 115226530

IUPACN-methyl-N'-(1H-pyrrol-3-yl)methanediamine
SMILESCNCNc1cc[nH]c1
InChIInChI=1S/C6H11N3/c1-7-5-9-6-2-3-8-4-6/h2-4,7-9H,5H2,1H3
InChIKeyVUMPBWXNVIOXKA-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.60
Rot. Bonds3

About N-methyl-N'-(1H-pyrrol-3-yl)methanediamine

N-methyl-N'-(1H-pyrrol-3-yl)methanediamine (PubChem CID 115226530) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-methyl-N'-(1H-pyrrol-3-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(1H-pyrrol-3-yl)methanediamine
PubChem CID115226530
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-methyl-N'-(1H-pyrrol-3-yl)methanediamine
SMILESCNCNc1cc[nH]c1
InChIInChI=1S/C6H11N3/c1-7-5-9-6-2-3-8-4-6/h2-4,7-9H,5H2,1H3
InChIKeyVUMPBWXNVIOXKA-UHFFFAOYSA-N
XLogP0.60
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1H-pyrrol-3-yl)methanediamine?
The IUPAC name of N-methyl-N'-(1H-pyrrol-3-yl)methanediamine (CID 115226530) is N-methyl-N'-(1H-pyrrol-3-yl)methanediamine.
What is the SMILES notation for N-methyl-N'-(1H-pyrrol-3-yl)methanediamine?
The canonical SMILES for N-methyl-N'-(1H-pyrrol-3-yl)methanediamine is CNCNc1cc[nH]c1.
What is the InChIKey of N-methyl-N'-(1H-pyrrol-3-yl)methanediamine?
The InChIKey is VUMPBWXNVIOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-7-5-9-6-2-3-8-4-6/h2-4,7-9H,5H2,1H3.
What are the key properties of N-methyl-N'-(1H-pyrrol-3-yl)methanediamine?
N-methyl-N'-(1H-pyrrol-3-yl)methanediamine has a molecular weight of 125.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1H-pyrrol-3-yl)methanediamine is sourced from PubChem (CID 115226530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).