5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one

C11H18N2O — CID 138623183

IUPAC5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
SMILESCCC(CC)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)12-7-9-5-6-11(14)13-8-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVHBZITHXNWFAPC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds5

About 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one

5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 138623183) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
PubChem CID138623183
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one
SMILESCCC(CC)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)12-7-9-5-6-11(14)13-8-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVHBZITHXNWFAPC-UHFFFAOYSA-N
XLogP1.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1H-pyridin-2-one;molecular hydrogen
CID 142493028
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
4-[(pentan-3-ylamino)methyl]benzoic acid
CID 62216407
3,3-dimethyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pentanamide
CID 146395949
5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
CID 54594095
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686305
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758

Frequently Asked Questions

What is the IUPAC name of 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one (CID 138623183) is 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one is CCC(CC)NCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is VHBZITHXNWFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(4-2)12-7-9-5-6-11(14)13-8-9/h5-6,8,10,12H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one?
5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pentan-3-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138623183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).