3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide

C10H21N3O — CID 106098551

IUPAC3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-9(2,3)8(12)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13)
InChIKeyKWFHDHNUPZHUCE-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.04
Rot. Bonds3

About 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide

3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide (PubChem CID 106098551) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide
PubChem CID106098551
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-9(2,3)8(12)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13)
InChIKeyKWFHDHNUPZHUCE-UHFFFAOYSA-N
XLogP1.04
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.04
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 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide?
The IUPAC name of 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide (CID 106098551) is 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide is CC(C)(CC(N)=O)/N=C(\N)C(C)(C)C.
What is the InChIKey of 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide?
The InChIKey is KWFHDHNUPZHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2,3)8(12)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13).
What are the key properties of 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide?
3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide has a molecular weight of 199.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,2-dimethylpropylidene)amino]-3-methylbutanamide is sourced from PubChem (CID 106098551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).