N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide

C11H23N3O — CID 134421184

IUPACN-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
SMILES[H]/N=C(\N)[C@H](C(C)C)N(C)C(=O)CC(C)C
InChIInChI=1S/C11H23N3O/c1-7(2)6-9(15)14(5)10(8(3)4)11(12)13/h7-8,10H,6H2,1-5H3,(H3,12,13)/t10-/m0/s1
InChIKeyKSNDVESMZBFLBV-JTQLQIEISA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds5

About N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide

N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide (PubChem CID 134421184) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
PubChem CID134421184
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
SMILES[H]/N=C(\N)[C@H](C(C)C)N(C)C(=O)CC(C)C
InChIInChI=1S/C11H23N3O/c1-7(2)6-9(15)14(5)10(8(3)4)11(12)13/h7-8,10H,6H2,1-5H3,(H3,12,13)/t10-/m0/s1
InChIKeyKSNDVESMZBFLBV-JTQLQIEISA-N
XLogP1.45
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide (CID 134421184) is N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide is [H]/N=C(\N)[C@H](C(C)C)N(C)C(=O)CC(C)C.
What is the InChIKey of N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide?
The InChIKey is KSNDVESMZBFLBV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O/c1-7(2)6-9(15)14(5)10(8(3)4)11(12)13/h7-8,10H,6H2,1-5H3,(H3,12,13)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide?
N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 134421184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).