[3-(cyclobutylmethyl)imidazol-4-yl]methanamine

C9H15N3 — CID 66148597

IUPAC[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CC1CCC1
InChIInChI=1S/C9H15N3/c10-4-9-5-11-7-12(9)6-8-2-1-3-8/h5,7-8H,1-4,6,10H2
InChIKeyPFDWNJAARMVMRN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds3

About [3-(cyclobutylmethyl)imidazol-4-yl]methanamine

[3-(cyclobutylmethyl)imidazol-4-yl]methanamine (PubChem CID 66148597) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [3-(cyclobutylmethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
PubChem CID66148597
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CC1CCC1
InChIInChI=1S/C9H15N3/c10-4-9-5-11-7-12(9)6-8-2-1-3-8/h5,7-8H,1-4,6,10H2
InChIKeyPFDWNJAARMVMRN-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclobutylmethyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(cyclobutylmethyl)imidazol-4-yl]methanamine (CID 66148597) is [3-(cyclobutylmethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(cyclobutylmethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(cyclobutylmethyl)imidazol-4-yl]methanamine is NCc1cncn1CC1CCC1.
What is the InChIKey of [3-(cyclobutylmethyl)imidazol-4-yl]methanamine?
The InChIKey is PFDWNJAARMVMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-4-9-5-11-7-12(9)6-8-2-1-3-8/h5,7-8H,1-4,6,10H2.
What are the key properties of [3-(cyclobutylmethyl)imidazol-4-yl]methanamine?
[3-(cyclobutylmethyl)imidazol-4-yl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclobutylmethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66148597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).