4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one

C11H19N3O — CID 106345320

IUPAC4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
SMILESCC(C)C(CN)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H19N3O/c1-8(2)10(6-12)14-7-9-3-4-13-11(15)5-9/h3-5,8,10,14H,6-7,12H2,1-2H3,(H,13,15)
InChIKeySRUPUIWNBQJPLX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.45
Rot. Bonds5

About 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one

4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 106345320) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID106345320
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one
SMILESCC(C)C(CN)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H19N3O/c1-8(2)10(6-12)14-7-9-3-4-13-11(15)5-9/h3-5,8,10,14H,6-7,12H2,1-2H3,(H,13,15)
InChIKeySRUPUIWNBQJPLX-UHFFFAOYSA-N
XLogP0.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2-methylpropylamino)propan-2-ylamino]methyl]-1H-pyridin-2-one
CID 114039685
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
3-methyl-2-N-(1H-pyrrol-2-ylmethyl)butane-1,2-diamine
CID 115138127
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
(2-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 68696250
3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine
CID 106345441
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
(2R)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300672
(2S)-2-benzylsulfanyl-N-[(2-oxo-1H-pyridin-4-yl)methyl]propanamide
CID 95300671
3-methyl-2-N-(1H-pyrazol-5-ylmethyl)butane-1,2-diamine
CID 106345214
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one (CID 106345320) is 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one is CC(C)C(CN)NCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is SRUPUIWNBQJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(6-12)14-7-9-3-4-13-11(15)5-9/h3-5,8,10,14H,6-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one?
4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 106345320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).