1-cyclopentylethanimine

C7H13N — CID 18727540

IUPAC1-cyclopentylethanimine
SMILES[H]/N=C(\C)C1CCCC1
InChIInChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyNYERBLCEYIHFBG-SOFGYWHQSA-N
MW111.19 g/mol
LogP2.22
Rot. Bonds1

About 1-cyclopentylethanimine

1-cyclopentylethanimine (PubChem CID 18727540) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-cyclopentylethanimine.

Molecular Properties

Compound Name1-cyclopentylethanimine
PubChem CID18727540
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-cyclopentylethanimine
SMILES[H]/N=C(\C)C1CCCC1
InChIInChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyNYERBLCEYIHFBG-SOFGYWHQSA-N
XLogP2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethanimine?
The IUPAC name of 1-cyclopentylethanimine (CID 18727540) is 1-cyclopentylethanimine.
What is the SMILES notation for 1-cyclopentylethanimine?
The canonical SMILES for 1-cyclopentylethanimine is [H]/N=C(\C)C1CCCC1.
What is the InChIKey of 1-cyclopentylethanimine?
The InChIKey is NYERBLCEYIHFBG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N/c1-6(8)7-4-2-3-5-7/h7-8H,2-5H2,1H3/b8-6+.
What are the key properties of 1-cyclopentylethanimine?
1-cyclopentylethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethanimine is sourced from PubChem (CID 18727540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).