(2S)-N,3-dimethyl-2-(methylideneamino)butanamide

C7H14N2O — CID 121291816

IUPAC(2S)-N,3-dimethyl-2-(methylideneamino)butanamide
SMILESC=N[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)6(8-3)7(10)9-4/h5-6H,3H2,1-2,4H3,(H,9,10)/t6-/m0/s1
InChIKeyPHKFCNRNNYOJBH-LURJTMIESA-N
MW142.20 g/mol
LogP0.46
Rot. Bonds3

About (2S)-N,3-dimethyl-2-(methylideneamino)butanamide

(2S)-N,3-dimethyl-2-(methylideneamino)butanamide (PubChem CID 121291816) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-N,3-dimethyl-2-(methylideneamino)butanamide.

Molecular Properties

Compound Name(2S)-N,3-dimethyl-2-(methylideneamino)butanamide
PubChem CID121291816
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2S)-N,3-dimethyl-2-(methylideneamino)butanamide
SMILESC=N[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)6(8-3)7(10)9-4/h5-6H,3H2,1-2,4H3,(H,9,10)/t6-/m0/s1
InChIKeyPHKFCNRNNYOJBH-LURJTMIESA-N
XLogP0.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.46
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

(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
2-Amino-N,3,3-Trimethylbutanamide
CID 3496445
(2S)-2-amino-N,3-dimethylbutanamide hydrochloride
CID 20598795
(2S)-2-amino-N,N,3-trimethylbutanamide hydrochloride
CID 56831841
(2R)-2-amino-N,N,3-trimethylbutanamide hydrochloride
CID 86678922
N-Methyl-C-amino valine
CID 5288822
N-Acetyl L-valinamide
CID 142227
N-Methyl-L-valinamide
CID 11423608
Ac-val-nh2
CID 7021426
2-amino-N,3-dimethylbutanamide
CID 13491007
2-amino-N,N,3-trimethylbutanamide
CID 19027560
(S)-N-(2',2'-dimethyl-propylidene)-valine monomethylamide
CID 13491011

Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dimethyl-2-(methylideneamino)butanamide?
The IUPAC name of (2S)-N,3-dimethyl-2-(methylideneamino)butanamide (CID 121291816) is (2S)-N,3-dimethyl-2-(methylideneamino)butanamide.
What is the SMILES notation for (2S)-N,3-dimethyl-2-(methylideneamino)butanamide?
The canonical SMILES for (2S)-N,3-dimethyl-2-(methylideneamino)butanamide is C=N[C@H](C(=O)NC)C(C)C.
What is the InChIKey of (2S)-N,3-dimethyl-2-(methylideneamino)butanamide?
The InChIKey is PHKFCNRNNYOJBH-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)6(8-3)7(10)9-4/h5-6H,3H2,1-2,4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-N,3-dimethyl-2-(methylideneamino)butanamide?
(2S)-N,3-dimethyl-2-(methylideneamino)butanamide has a molecular weight of 142.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-dimethyl-2-(methylideneamino)butanamide is sourced from PubChem (CID 121291816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).