N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine

C13H23N3 — CID 115654607

IUPACN-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
SMILESCc1nccn1CCCCNC1CCCC1
InChIInChI=1S/C13H23N3/c1-12-14-9-11-16(12)10-5-4-8-15-13-6-2-3-7-13/h9,11,13,15H,2-8,10H2,1H3
InChIKeyHESBVGYCABOTBW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine

N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine (PubChem CID 115654607) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
PubChem CID115654607
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
SMILESCc1nccn1CCCCNC1CCCC1
InChIInChI=1S/C13H23N3/c1-12-14-9-11-16(12)10-5-4-8-15-13-6-2-3-7-13/h9,11,13,15H,2-8,10H2,1H3
InChIKeyHESBVGYCABOTBW-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.50
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

N-[4-(2-methylimidazol-1-yl)butyl]thiolan-3-amine
CID 115723460
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471446
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
1-[3-(2-methylimidazol-1-yl)propyl]-3-(2-methylsulfanylcyclohexyl)urea
CID 75421906
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine (CID 115654607) is N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine is Cc1nccn1CCCCNC1CCCC1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine?
The InChIKey is HESBVGYCABOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-14-9-11-16(12)10-5-4-8-15-13-6-2-3-7-13/h9,11,13,15H,2-8,10H2,1H3.
What are the key properties of N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine?
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine has a molecular weight of 221.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine is sourced from PubChem (CID 115654607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).