N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine

C12H21N3 — CID 106581425

IUPACN-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
SMILESCCCCNc1nccn1C1CC(C)C1
InChIInChI=1S/C12H21N3/c1-3-4-5-13-12-14-6-7-15(12)11-8-10(2)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeySUQCTXBIFXLYOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.07
Rot. Bonds5

About N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine

N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine (PubChem CID 106581425) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
PubChem CID106581425
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
SMILESCCCCNc1nccn1C1CC(C)C1
InChIInChI=1S/C12H21N3/c1-3-4-5-13-12-14-6-7-15(12)11-8-10(2)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeySUQCTXBIFXLYOO-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.07
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-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
N-methyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581421
N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
CID 106572877
N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
1-cyclopentyl-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574332
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine (CID 106581425) is N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine is CCCCNc1nccn1C1CC(C)C1.
What is the InChIKey of N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine?
The InChIKey is SUQCTXBIFXLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-13-12-14-6-7-15(12)11-8-10(2)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine?
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine is sourced from PubChem (CID 106581425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).