1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

C9H16N4 — CID 62133635

IUPAC1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCN1CCC(Nc2nccn2C)C1
InChIInChI=1S/C9H16N4/c1-12-5-3-8(7-12)11-9-10-4-6-13(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyPBKVVAMSFKFAAE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.54
Rot. Bonds2

About 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (PubChem CID 62133635) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
PubChem CID62133635
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCN1CCC(Nc2nccn2C)C1
InChIInChI=1S/C9H16N4/c1-12-5-3-8(7-12)11-9-10-4-6-13(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyPBKVVAMSFKFAAE-UHFFFAOYSA-N
XLogP0.54
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (CID 62133635) is 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is CN1CCC(Nc2nccn2C)C1.
What is the InChIKey of 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The InChIKey is PBKVVAMSFKFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-3-8(7-12)11-9-10-4-6-13(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,10,11).
What are the key properties of 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is sourced from PubChem (CID 62133635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).