1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine

C14H25N3 — CID 106582100

IUPAC1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
SMILESCCCCn1ccnc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-4-5-9-17-10-8-15-13(17)16-12-6-7-14(2,3)11-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeyKLSKYEGJTAWTRA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds5

About 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine

1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine (PubChem CID 106582100) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
PubChem CID106582100
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
SMILESCCCCn1ccnc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-4-5-9-17-10-8-15-13(17)16-12-6-7-14(2,3)11-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeyKLSKYEGJTAWTRA-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine (CID 106582100) is 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine is CCCCn1ccnc1NC1CCC(C)(C)C1.
What is the InChIKey of 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine?
The InChIKey is KLSKYEGJTAWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-9-17-10-8-15-13(17)16-12-6-7-14(2,3)11-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16).
What are the key properties of 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine?
1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine is sourced from PubChem (CID 106582100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).