4-(dipentylamino)cyclohexan-1-one

C16H31NO — CID 138676494

IUPAC4-(dipentylamino)cyclohexan-1-one
SMILESCCCCCN(CCCCC)C1CCC(=O)CC1
InChIInChI=1S/C16H31NO/c1-3-5-7-13-17(14-8-6-4-2)15-9-11-16(18)12-10-15/h15H,3-14H2,1-2H3
InChIKeyQSFONYKVKCNPHS-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.18
Rot. Bonds9

About 4-(dipentylamino)cyclohexan-1-one

4-(dipentylamino)cyclohexan-1-one (PubChem CID 138676494) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(dipentylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dipentylamino)cyclohexan-1-one
PubChem CID138676494
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(dipentylamino)cyclohexan-1-one
SMILESCCCCCN(CCCCC)C1CCC(=O)CC1
InChIInChI=1S/C16H31NO/c1-3-5-7-13-17(14-8-6-4-2)15-9-11-16(18)12-10-15/h15H,3-14H2,1-2H3
InChIKeyQSFONYKVKCNPHS-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dipentylamino)cyclohexan-1-one?
The IUPAC name of 4-(dipentylamino)cyclohexan-1-one (CID 138676494) is 4-(dipentylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(dipentylamino)cyclohexan-1-one?
The canonical SMILES for 4-(dipentylamino)cyclohexan-1-one is CCCCCN(CCCCC)C1CCC(=O)CC1.
What is the InChIKey of 4-(dipentylamino)cyclohexan-1-one?
The InChIKey is QSFONYKVKCNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-7-13-17(14-8-6-4-2)15-9-11-16(18)12-10-15/h15H,3-14H2,1-2H3.
What are the key properties of 4-(dipentylamino)cyclohexan-1-one?
4-(dipentylamino)cyclohexan-1-one has a molecular weight of 253.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipentylamino)cyclohexan-1-one is sourced from PubChem (CID 138676494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).