1-cyclobutylethanimine

C6H11N — CID 18727538

IUPAC1-cyclobutylethanimine
SMILES[H]/N=C(\C)C1CCC1
InChIInChI=1S/C6H11N/c1-5(7)6-3-2-4-6/h6-7H,2-4H2,1H3/b7-5+
InChIKeyGKLUXWBWHFEYFN-FNORWQNLSA-N
MW97.16 g/mol
LogP1.83
Rot. Bonds1

About 1-cyclobutylethanimine

1-cyclobutylethanimine (PubChem CID 18727538) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-cyclobutylethanimine.

Molecular Properties

Compound Name1-cyclobutylethanimine
PubChem CID18727538
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-cyclobutylethanimine
SMILES[H]/N=C(\C)C1CCC1
InChIInChI=1S/C6H11N/c1-5(7)6-3-2-4-6/h6-7H,2-4H2,1H3/b7-5+
InChIKeyGKLUXWBWHFEYFN-FNORWQNLSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methylpentane-2,4-diimine
CID 20634338
5-Methylhexan-3-imine
CID 20811319
4-Methylhexan-2-imine
CID 21943615
5-Methylhexan-2-imine
CID 23163176
3-Methylpentan-2-imine
CID 53663690
3-Methylhexan-2-imine
CID 54508793
2-Methylcyclobutan-1-imine
CID 56619240
(4S)-4-methylhexan-2-imine
CID 87759739
2-Methylhexan-3-imine
CID 89383511
1-(1-Methylcyclobutyl)ethanimine
CID 91252916
3-Ethylpentan-2-imine
CID 91583168
4-Cyclobutylbutan-2-imine
CID 123285952

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylethanimine?
The IUPAC name of 1-cyclobutylethanimine (CID 18727538) is 1-cyclobutylethanimine.
What is the SMILES notation for 1-cyclobutylethanimine?
The canonical SMILES for 1-cyclobutylethanimine is [H]/N=C(\C)C1CCC1.
What is the InChIKey of 1-cyclobutylethanimine?
The InChIKey is GKLUXWBWHFEYFN-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N/c1-5(7)6-3-2-4-6/h6-7H,2-4H2,1H3/b7-5+.
What are the key properties of 1-cyclobutylethanimine?
1-cyclobutylethanimine has a molecular weight of 97.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethanimine is sourced from PubChem (CID 18727538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).