N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine

C13H23N3 — CID 115652890

IUPACN-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCC(C)Cn2ccnc2)C1
InChIInChI=1S/C13H23N3/c1-11-3-4-13(7-11)15-8-12(2)9-16-6-5-14-10-16/h5-6,10-13,15H,3-4,7-9H2,1-2H3
InChIKeyZTXCKJDRDJXPPM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.30
Rot. Bonds5

About N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine

N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine (PubChem CID 115652890) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
PubChem CID115652890
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCC(C)Cn2ccnc2)C1
InChIInChI=1S/C13H23N3/c1-11-3-4-13(7-11)15-8-12(2)9-16-6-5-14-10-16/h5-6,10-13,15H,3-4,7-9H2,1-2H3
InChIKeyZTXCKJDRDJXPPM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124830068
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol
CID 86794460
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859033
1-(2-methylbutyl)imidazole
CID 59161437
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
CID 122394696
N-ethyl-8-(1-imidazol-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739342
8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739170
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine (CID 115652890) is N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine is CC1CCC(NCC(C)Cn2ccnc2)C1.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine?
The InChIKey is ZTXCKJDRDJXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-3-4-13(7-11)15-8-12(2)9-16-6-5-14-10-16/h5-6,10-13,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine?
N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115652890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).