1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine

C9H16N4 — CID 117192715

IUPAC1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine
SMILESCn1c(CN2CCCC2)cnc1N
InChIInChI=1S/C9H16N4/c1-12-8(6-11-9(12)10)7-13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H2,10,11)
InChIKeyPHQFCYZUMYBVFL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds2

About 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine

1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine (PubChem CID 117192715) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine
PubChem CID117192715
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine
SMILESCn1c(CN2CCCC2)cnc1N
InChIInChI=1S/C9H16N4/c1-12-8(6-11-9(12)10)7-13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H2,10,11)
InChIKeyPHQFCYZUMYBVFL-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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Related Compounds

5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 117192935
(2-amino-3-methylimidazol-4-yl)methanol
CID 53411272
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
CID 82623000
4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
CID 117192727
1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazol-4-amine
CID 117217721
1-[(2,3-dimethylimidazol-4-yl)methyl]-4-(4-fluorophenyl)azepan-4-ol
CID 110223517
7-chloro-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256482
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
1-methyl-2-(pyrrolidin-1-ylmethyl)imidazol-4-amine
CID 117187142
5-(azepan-1-ylmethyl)-1,3-oxazol-2-amine
CID 117192196
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine (CID 117192715) is 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine is Cn1c(CN2CCCC2)cnc1N.
What is the InChIKey of 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine?
The InChIKey is PHQFCYZUMYBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-8(6-11-9(12)10)7-13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H2,10,11).
What are the key properties of 1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine?
1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-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-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 117192715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).