(2R)-2-(benzylideneamino)-4-methylpentanamide

C13H18N2O — CID 71352667

IUPAC(2R)-2-(benzylideneamino)-4-methylpentanamide
SMILESCC(C)C[C@@H](/N=C/c1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(2)8-12(13(14)16)15-9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,14,16)/b15-9+/t12-/m1/s1
InChIKeySUMXMFBHMUUWAO-KMHUVPDISA-N
MW218.30 g/mol
LogP2.01
Rot. Bonds5

About (2R)-2-(benzylideneamino)-4-methylpentanamide

(2R)-2-(benzylideneamino)-4-methylpentanamide (PubChem CID 71352667) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-(benzylideneamino)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(benzylideneamino)-4-methylpentanamide
PubChem CID71352667
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2R)-2-(benzylideneamino)-4-methylpentanamide
SMILESCC(C)C[C@@H](/N=C/c1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(2)8-12(13(14)16)15-9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,14,16)/b15-9+/t12-/m1/s1
InChIKeySUMXMFBHMUUWAO-KMHUVPDISA-N
XLogP2.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
2,5-bis(benzylideneamino)hexanoic acid
CID 118619521
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
propan-2-yl (2S)-2-(benzylideneamino)-3-(2-methylphenyl)propanoate
CID 101036818
1-(benzylideneamino)ethanol
CID 66697160
methyl 2-(benzylideneamino)hexanoate
CID 23074255
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
methyl 2-(benzylideneamino)-4-methylsulfanylbutanoate
CID 4866663
methyl 2-(benzylideneamino)-4-cyanobutanoate
CID 24976831
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
ethyl 2-(benzylideneamino)-4-cyanobutanoate
CID 11207281
3-(benzylideneamino)butan-1-ol
CID 101452219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylideneamino)-4-methylpentanamide?
The IUPAC name of (2R)-2-(benzylideneamino)-4-methylpentanamide (CID 71352667) is (2R)-2-(benzylideneamino)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(benzylideneamino)-4-methylpentanamide?
The canonical SMILES for (2R)-2-(benzylideneamino)-4-methylpentanamide is CC(C)C[C@@H](/N=C/c1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-(benzylideneamino)-4-methylpentanamide?
The InChIKey is SUMXMFBHMUUWAO-KMHUVPDISA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)8-12(13(14)16)15-9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,14,16)/b15-9+/t12-/m1/s1.
What are the key properties of (2R)-2-(benzylideneamino)-4-methylpentanamide?
(2R)-2-(benzylideneamino)-4-methylpentanamide has a molecular weight of 218.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylideneamino)-4-methylpentanamide is sourced from PubChem (CID 71352667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).