4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine

C13H23N3 — CID 106581853

IUPAC4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-7-16-9-11(3)14-13(16)15-12-6-5-10(2)8-12/h9-10,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHPLZDYWPZMEBBF-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds4

About 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine

4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine (PubChem CID 106581853) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
PubChem CID106581853
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-7-16-9-11(3)14-13(16)15-12-6-5-10(2)8-12/h9-10,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHPLZDYWPZMEBBF-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine (CID 106581853) is 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC1CCC(C)C1.
What is the InChIKey of 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
The InChIKey is HPLZDYWPZMEBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-16-9-11(3)14-13(16)15-12-6-5-10(2)8-12/h9-10,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine?
4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106581853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).