4-(dipropylamino)cyclohexan-1-one

C12H23NO — CID 10997953

IUPAC4-(dipropylamino)cyclohexan-1-one
SMILESCCCN(CCC)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h11H,3-10H2,1-2H3
InChIKeyBIZQSKGTYNMQPL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds5

About 4-(dipropylamino)cyclohexan-1-one

4-(dipropylamino)cyclohexan-1-one (PubChem CID 10997953) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(dipropylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dipropylamino)cyclohexan-1-one
PubChem CID10997953
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(dipropylamino)cyclohexan-1-one
SMILESCCCN(CCC)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h11H,3-10H2,1-2H3
InChIKeyBIZQSKGTYNMQPL-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)cyclohexan-1-one?
The IUPAC name of 4-(dipropylamino)cyclohexan-1-one (CID 10997953) is 4-(dipropylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(dipropylamino)cyclohexan-1-one?
The canonical SMILES for 4-(dipropylamino)cyclohexan-1-one is CCCN(CCC)C1CCC(=O)CC1.
What is the InChIKey of 4-(dipropylamino)cyclohexan-1-one?
The InChIKey is BIZQSKGTYNMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h11H,3-10H2,1-2H3.
What are the key properties of 4-(dipropylamino)cyclohexan-1-one?
4-(dipropylamino)cyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)cyclohexan-1-one is sourced from PubChem (CID 10997953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).