3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine

C13H23N3 — CID 79642762

IUPAC3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(n2cnc(C)c2C)C1
InChIInChI=1S/C13H23N3/c1-4-7-14-12-5-6-13(8-12)16-9-15-10(2)11(16)3/h9,12-14H,4-8H2,1-3H3
InChIKeyKPGCPBVYXLWALA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.59
Rot. Bonds4

About 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine

3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine (PubChem CID 79642762) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
PubChem CID79642762
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(n2cnc(C)c2C)C1
InChIInChI=1S/C13H23N3/c1-4-7-14-12-5-6-13(8-12)16-9-15-10(2)11(16)3/h9,12-14H,4-8H2,1-3H3
InChIKeyKPGCPBVYXLWALA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
CID 79619398
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62351091
N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004556
4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
CID 62793221
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107249
8-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106376421
N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 107590090
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
3-(4-ethylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642695
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine (CID 79642762) is 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine is CCCNC1CCC(n2cnc(C)c2C)C1.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine?
The InChIKey is KPGCPBVYXLWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-14-12-5-6-13(8-12)16-9-15-10(2)11(16)3/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine?
3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79642762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).