1-[4-(ethylamino)cyclohexyl]butan-2-one

C12H23NO — CID 89002199

IUPAC1-[4-(ethylamino)cyclohexyl]butan-2-one
SMILESCCNC1CCC(CC(=O)CC)CC1
InChIInChI=1S/C12H23NO/c1-3-12(14)9-10-5-7-11(8-6-10)13-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyBSQFFPWGHAQCMI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-(ethylamino)cyclohexyl]butan-2-one

1-[4-(ethylamino)cyclohexyl]butan-2-one (PubChem CID 89002199) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[4-(ethylamino)cyclohexyl]butan-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)cyclohexyl]butan-2-one
PubChem CID89002199
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[4-(ethylamino)cyclohexyl]butan-2-one
SMILESCCNC1CCC(CC(=O)CC)CC1
InChIInChI=1S/C12H23NO/c1-3-12(14)9-10-5-7-11(8-6-10)13-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyBSQFFPWGHAQCMI-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
N-ethylcyclopropanamine;hydrochloride
CID 43810659
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
[4-(ethylamino)cyclohexyl]urea
CID 43653665
2-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
N-[4-(ethylamino)cyclohexyl]-N-methylcyclopropanecarboxamide
CID 79122712
acetic acid;N-ethylcyclohexanamine
CID 66685670
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
2-ethyl-N-[4-(ethylamino)cyclohexyl]butanamide
CID 43653291
N-ethylcyclopentanamine;methanol
CID 161343027
1-cyclohexyl-4-(cyclopropylamino)butan-2-one
CID 116559352

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)cyclohexyl]butan-2-one?
The IUPAC name of 1-[4-(ethylamino)cyclohexyl]butan-2-one (CID 89002199) is 1-[4-(ethylamino)cyclohexyl]butan-2-one.
What is the SMILES notation for 1-[4-(ethylamino)cyclohexyl]butan-2-one?
The canonical SMILES for 1-[4-(ethylamino)cyclohexyl]butan-2-one is CCNC1CCC(CC(=O)CC)CC1.
What is the InChIKey of 1-[4-(ethylamino)cyclohexyl]butan-2-one?
The InChIKey is BSQFFPWGHAQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(14)9-10-5-7-11(8-6-10)13-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)cyclohexyl]butan-2-one?
1-[4-(ethylamino)cyclohexyl]butan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)cyclohexyl]butan-2-one is sourced from PubChem (CID 89002199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).