N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine

C13H23N3 — CID 62564881

IUPACN-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
SMILESCc1ncn(CCCNC2CCCC2)c1C
InChIInChI=1S/C13H23N3/c1-11-12(2)16(10-15-11)9-5-8-14-13-6-3-4-7-13/h10,13-14H,3-9H2,1-2H3
InChIKeyNGWFPVQMYULJPA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine

N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine (PubChem CID 62564881) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
PubChem CID62564881
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
SMILESCc1ncn(CCCNC2CCCC2)c1C
InChIInChI=1S/C13H23N3/c1-11-12(2)16(10-15-11)9-5-8-14-13-6-3-4-7-13/h10,13-14H,3-9H2,1-2H3
InChIKeyNGWFPVQMYULJPA-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
1-(1,4,5-trimethyl-1H-imidazol-2-yl)ethan-1-amine
CID 82463368
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
4,5-Dimethyl-1-propan-2-ylimidazole
CID 11988730
N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]cyclohexanamine
CID 97159479
N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 131922331
4-(5-Methyl-1H-imidazol-1-YL)piperidine
CID 53414995
2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide
CID 139093630
N,N'-dicyclohexyl-4,5-dimethylimidazole-1-carboximidamide
CID 139093656
2-(4,5-Dimethylimidazol-1-yl)-3,3,3-trifluoropropan-1-amine
CID 62350352
2-(4,5-Dimethylimidazol-1-yl)-1,1,1-trifluoropentan-3-amine
CID 62351952

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine (CID 62564881) is N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine is Cc1ncn(CCCNC2CCCC2)c1C.
What is the InChIKey of N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine?
The InChIKey is NGWFPVQMYULJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-12(2)16(10-15-11)9-5-8-14-13-6-3-4-7-13/h10,13-14H,3-9H2,1-2H3.
What are the key properties of N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine?
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine has a molecular weight of 221.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 62564881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).