N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine

C10H17N3 — CID 64986014

IUPACN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C2CCC2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-11-6-9-7-12-10(13-9)8-4-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyPDUDIAKWNHCKOI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.79
Rot. Bonds4

About N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine

N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine (PubChem CID 64986014) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine
PubChem CID64986014
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(C2CCC2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-11-6-9-7-12-10(13-9)8-4-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyPDUDIAKWNHCKOI-UHFFFAOYSA-N
XLogP1.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine (CID 64986014) is N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine is CCNCc1cnc(C2CCC2)[nH]1.
What is the InChIKey of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine?
The InChIKey is PDUDIAKWNHCKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-11-6-9-7-12-10(13-9)8-4-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine?
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 64986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).