4-(propylamino)cyclohexan-1-one

C9H17NO — CID 11819262

IUPAC4-(propylamino)cyclohexan-1-one
SMILESCCCNC1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-2-7-10-8-3-5-9(11)6-4-8/h8,10H,2-7H2,1H3
InChIKeyKGYWGNKOKDOANR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds3

About 4-(propylamino)cyclohexan-1-one

4-(propylamino)cyclohexan-1-one (PubChem CID 11819262) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(propylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(propylamino)cyclohexan-1-one
PubChem CID11819262
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(propylamino)cyclohexan-1-one
SMILESCCCNC1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-2-7-10-8-3-5-9(11)6-4-8/h8,10H,2-7H2,1H3
InChIKeyKGYWGNKOKDOANR-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)cyclohexan-1-one?
The IUPAC name of 4-(propylamino)cyclohexan-1-one (CID 11819262) is 4-(propylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(propylamino)cyclohexan-1-one?
The canonical SMILES for 4-(propylamino)cyclohexan-1-one is CCCNC1CCC(=O)CC1.
What is the InChIKey of 4-(propylamino)cyclohexan-1-one?
The InChIKey is KGYWGNKOKDOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-10-8-3-5-9(11)6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of 4-(propylamino)cyclohexan-1-one?
4-(propylamino)cyclohexan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)cyclohexan-1-one is sourced from PubChem (CID 11819262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).