N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide

C10H20N2O — CID 174592112

IUPACN-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide
SMILES[H]/N=C/C[C@H](C)NC(=O)C(C)(C)CC
InChIInChI=1S/C10H20N2O/c1-5-10(3,4)9(13)12-8(2)6-7-11/h7-8,11H,5-6H2,1-4H3,(H,12,13)/b11-7+/t8-/m0/s1
InChIKeyWUQBDSADDITTQP-LBTPYSACSA-N
MW184.28 g/mol
LogP1.97
Rot. Bonds5

About N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide

N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide (PubChem CID 174592112) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide
PubChem CID174592112
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide
SMILES[H]/N=C/C[C@H](C)NC(=O)C(C)(C)CC
InChIInChI=1S/C10H20N2O/c1-5-10(3,4)9(13)12-8(2)6-7-11/h7-8,11H,5-6H2,1-4H3,(H,12,13)/b11-7+/t8-/m0/s1
InChIKeyWUQBDSADDITTQP-LBTPYSACSA-N
XLogP1.97
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide (CID 174592112) is N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide is [H]/N=C/C[C@H](C)NC(=O)C(C)(C)CC.
What is the InChIKey of N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide?
The InChIKey is WUQBDSADDITTQP-LBTPYSACSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-10(3,4)9(13)12-8(2)6-7-11/h7-8,11H,5-6H2,1-4H3,(H,12,13)/b11-7+/t8-/m0/s1.
What are the key properties of N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide?
N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-iminobutan-2-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 174592112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).