3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one

C14H23NO — CID 104787794

IUPAC3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one
SMILESCCC1CCC(N(C)C2=CC(=O)CC2)CC1
InChIInChI=1S/C14H23NO/c1-3-11-4-6-12(7-5-11)15(2)13-8-9-14(16)10-13/h10-12H,3-9H2,1-2H3
InChIKeyJPDFUPRMPSJNME-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds3

About 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one

3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one (PubChem CID 104787794) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one
PubChem CID104787794
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one
SMILESCCC1CCC(N(C)C2=CC(=O)CC2)CC1
InChIInChI=1S/C14H23NO/c1-3-11-4-6-12(7-5-11)15(2)13-8-9-14(16)10-13/h10-12H,3-9H2,1-2H3
InChIKeyJPDFUPRMPSJNME-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 55222350
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
CID 62153482
3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63402926
3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine
CID 102986160
3-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]prop-2-enoic acid
CID 77000107
3-N-(4-ethylcyclohexyl)-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 54948045
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 54947942
2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
CID 63566462
2-chloro-4-[(4-ethylcyclohexyl)-methylamino]benzaldehyde
CID 114064082
3-[(4-ethylcyclohexyl)-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897738

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one (CID 104787794) is 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one is CCC1CCC(N(C)C2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one?
The InChIKey is JPDFUPRMPSJNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-4-6-12(7-5-11)15(2)13-8-9-14(16)10-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one?
3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).