N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine

C10H17N3 — CID 117191740

IUPACN-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
SMILESCCn1cnc(CNC2CCC2)c1
InChIInChI=1S/C10H17N3/c1-2-13-7-10(12-8-13)6-11-9-4-3-5-9/h7-9,11H,2-6H2,1H3
InChIKeyPGQJNYNXCRUXGY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.55
Rot. Bonds4

About N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine

N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine (PubChem CID 117191740) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
PubChem CID117191740
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
SMILESCCn1cnc(CNC2CCC2)c1
InChIInChI=1S/C10H17N3/c1-2-13-7-10(12-8-13)6-11-9-4-3-5-9/h7-9,11H,2-6H2,1H3
InChIKeyPGQJNYNXCRUXGY-UHFFFAOYSA-N
XLogP1.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114203981
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106719702

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine (CID 117191740) is N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine is CCn1cnc(CNC2CCC2)c1.
What is the InChIKey of N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine?
The InChIKey is PGQJNYNXCRUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-13-7-10(12-8-13)6-11-9-4-3-5-9/h7-9,11H,2-6H2,1H3.
What are the key properties of N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine?
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine has a molecular weight of 179.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117191740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).