(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide

C10H20N2O — CID 15747178

IUPAC(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(6-9(13)11-5)12-7-10(2,3)4/h7-8H,6H2,1-5H3,(H,11,13)/b12-7+/t8-/m1/s1
InChIKeyBGOHGLDKVCBZDH-LQGZHCLWSA-N
MW184.28 g/mol
LogP1.63
Rot. Bonds3

About (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide

(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide (PubChem CID 15747178) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide
PubChem CID15747178
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(6-9(13)11-5)12-7-10(2,3)4/h7-8H,6H2,1-5H3,(H,11,13)/b12-7+/t8-/m1/s1
InChIKeyBGOHGLDKVCBZDH-LQGZHCLWSA-N
XLogP1.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide?
The IUPAC name of (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide (CID 15747178) is (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide.
What is the SMILES notation for (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide?
The canonical SMILES for (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide is CNC(=O)C[C@@H](C)/N=C/C(C)(C)C.
What is the InChIKey of (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide?
The InChIKey is BGOHGLDKVCBZDH-LQGZHCLWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(6-9(13)11-5)12-7-10(2,3)4/h7-8H,6H2,1-5H3,(H,11,13)/b12-7+/t8-/m1/s1.
What are the key properties of (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide?
(3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-dimethylpropylideneamino)-N-methylbutanamide is sourced from PubChem (CID 15747178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).