1-cyclopentylheptan-1-imine

C12H23N — CID 91078727

IUPAC1-cyclopentylheptan-1-imine
SMILES[H]/N=C(\CCCCCC)C1CCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-10-12(13)11-8-6-7-9-11/h11,13H,2-10H2,1H3/b13-12+
InChIKeyBVBLQFNQSWCMBC-OUKQBFOZSA-N
MW181.32 g/mol
LogP4.17
Rot. Bonds6

About 1-cyclopentylheptan-1-imine

1-cyclopentylheptan-1-imine (PubChem CID 91078727) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclopentylheptan-1-imine.

Molecular Properties

Compound Name1-cyclopentylheptan-1-imine
PubChem CID91078727
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclopentylheptan-1-imine
SMILES[H]/N=C(\CCCCCC)C1CCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-10-12(13)11-8-6-7-9-11/h11,13H,2-10H2,1H3/b13-12+
InChIKeyBVBLQFNQSWCMBC-OUKQBFOZSA-N
XLogP4.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylheptan-1-imine?
The IUPAC name of 1-cyclopentylheptan-1-imine (CID 91078727) is 1-cyclopentylheptan-1-imine.
What is the SMILES notation for 1-cyclopentylheptan-1-imine?
The canonical SMILES for 1-cyclopentylheptan-1-imine is [H]/N=C(\CCCCCC)C1CCCC1.
What is the InChIKey of 1-cyclopentylheptan-1-imine?
The InChIKey is BVBLQFNQSWCMBC-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-10-12(13)11-8-6-7-9-11/h11,13H,2-10H2,1H3/b13-12+.
What are the key properties of 1-cyclopentylheptan-1-imine?
1-cyclopentylheptan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylheptan-1-imine is sourced from PubChem (CID 91078727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).