4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one

C13H20N2O — CID 126809577

IUPAC4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one
SMILESCC(NC1CCCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H20N2O/c1-10(11-7-8-14-13(16)9-11)15-12-5-3-2-4-6-12/h7-10,12,15H,2-6H2,1H3,(H,14,16)
InChIKeySFQSTBXXMCXTLQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.36
Rot. Bonds3

About 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one

4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one (PubChem CID 126809577) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one
PubChem CID126809577
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one
SMILESCC(NC1CCCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H20N2O/c1-10(11-7-8-14-13(16)9-11)15-12-5-3-2-4-6-12/h7-10,12,15H,2-6H2,1H3,(H,14,16)
InChIKeySFQSTBXXMCXTLQ-UHFFFAOYSA-N
XLogP2.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
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CID 43080032
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
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CID 28555572
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015410
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one (CID 126809577) is 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one is CC(NC1CCCCC1)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one?
The InChIKey is SFQSTBXXMCXTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-7-8-14-13(16)9-11)15-12-5-3-2-4-6-12/h7-10,12,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one?
4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylamino)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 126809577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).