6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one

C19H33NO — CID 123621235

IUPAC6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one
SMILESCCCC1=CC(=O)C(NC(CCC)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO/c1-3-8-15-12-13-18(19(21)14-15)20-17(9-4-2)16-10-6-5-7-11-16/h14,16-18,20H,3-13H2,1-2H3
InChIKeyPCOJAXJMWGNPJD-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.78
Rot. Bonds7

About 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one

6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one (PubChem CID 123621235) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one
PubChem CID123621235
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one
SMILESCCCC1=CC(=O)C(NC(CCC)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO/c1-3-8-15-12-13-18(19(21)14-15)20-17(9-4-2)16-10-6-5-7-11-16/h14,16-18,20H,3-13H2,1-2H3
InChIKeyPCOJAXJMWGNPJD-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46934066
5,6-Dimethyl-2-(pentan-3-ylamino)cyclohex-4-ene-1,3-dione
CID 168665463
3-Methyl-1-azaspiro[5.5]undec-3-en-5-one
CID 5200370
7-(dipropylamino)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 13096723
6-(dipropylamino)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 13342876
3-[1-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320203
3-[1-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320348
2-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-naphthalen-1-one
CID 21419386
1,3,4,7,8,8a-Hexahydro-3-methyl-6(2H)-isoquinolinone
CID 22161705
4,4-Bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one
CID 57258674
(5S)-5-amino-15-(3-aminopropylamino)-1-[[(3R)-3,7-dimethyloct-6-enyl]amino]pentadecan-6-one
CID 58260410
4-(7-Butyl-8-oxoundecyl)-5-[3-oxo-2-(propylamino)hexyl]cyclohexa-3,5-diene-1,2-dione
CID 58445888

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one?
The IUPAC name of 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one (CID 123621235) is 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one?
The canonical SMILES for 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one is CCCC1=CC(=O)C(NC(CCC)C2CCCCC2)CC1.
What is the InChIKey of 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one?
The InChIKey is PCOJAXJMWGNPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-8-15-12-13-18(19(21)14-15)20-17(9-4-2)16-10-6-5-7-11-16/h14,16-18,20H,3-13H2,1-2H3.
What are the key properties of 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one?
6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylbutylamino)-3-propylcyclohex-2-en-1-one is sourced from PubChem (CID 123621235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).