N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine

C13H23N3 — CID 106575129

IUPACN-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine
SMILESCCC1CCC(Nc2nc(C)cn2C)C1C
InChIInChI=1S/C13H23N3/c1-5-11-6-7-12(10(11)3)15-13-14-9(2)8-16(13)4/h8,10-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyAICIGINRNDMPTE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.97
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine

N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine (PubChem CID 106575129) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine
PubChem CID106575129
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine
SMILESCCC1CCC(Nc2nc(C)cn2C)C1C
InChIInChI=1S/C13H23N3/c1-5-11-6-7-12(10(11)3)15-13-14-9(2)8-16(13)4/h8,10-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyAICIGINRNDMPTE-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine (CID 106575129) is N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine is CCC1CCC(Nc2nc(C)cn2C)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine?
The InChIKey is AICIGINRNDMPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11-6-7-12(10(11)3)15-13-14-9(2)8-16(13)4/h8,10-12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine?
N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106575129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).