2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine

C7H13N3 — CID 166869415

IUPAC2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC/N=C/C1=C(N)C(C)NC1
InChIInChI=1S/C7H13N3/c1-5-7(8)6(3-9-2)4-10-5/h3,5,10H,4,8H2,1-2H3/b9-3+
InChIKeyBZRZXJVUJTXVQS-YCRREMRBSA-N
MW139.20 g/mol
LogP-0.11
Rot. Bonds1

About 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine

2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 166869415) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound Name2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID166869415
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC/N=C/C1=C(N)C(C)NC1
InChIInChI=1S/C7H13N3/c1-5-7(8)6(3-9-2)4-10-5/h3,5,10H,4,8H2,1-2H3/b9-3+
InChIKeyBZRZXJVUJTXVQS-YCRREMRBSA-N
XLogP-0.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine (CID 166869415) is 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine is C/N=C/C1=C(N)C(C)NC1.
What is the InChIKey of 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is BZRZXJVUJTXVQS-YCRREMRBSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-7(8)6(3-9-2)4-10-5/h3,5,10H,4,8H2,1-2H3/b9-3+.
What are the key properties of 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine?
2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 139.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methyliminomethyl)-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 166869415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).