1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine

C9H16N4 — CID 117187142

IUPAC1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine
SMILESCn1cc(N)nc1CN1CCCC1
InChIInChI=1S/C9H16N4/c1-12-6-8(10)11-9(12)7-13-4-2-3-5-13/h6H,2-5,7,10H2,1H3
InChIKeyHPTZMNWYCHQZQB-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds2

About 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine

1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine (PubChem CID 117187142) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine.

Molecular Properties

Compound Name1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine
PubChem CID117187142
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine
SMILESCn1cc(N)nc1CN1CCCC1
InChIInChI=1S/C9H16N4/c1-12-6-8(10)11-9(12)7-13-4-2-3-5-13/h6H,2-5,7,10H2,1H3
InChIKeyHPTZMNWYCHQZQB-UHFFFAOYSA-N
XLogP0.60
TPSA47.08 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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine?
The IUPAC name of 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine (CID 117187142) is 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine.
What is the SMILES notation for 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine?
The canonical SMILES for 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine is Cn1cc(N)nc1CN1CCCC1.
What is the InChIKey of 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine?
The InChIKey is HPTZMNWYCHQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-6-8(10)11-9(12)7-13-4-2-3-5-13/h6H,2-5,7,10H2,1H3.
What are the key properties of 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine?
1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine is sourced from PubChem (CID 117187142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).