2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide

C10H21N3O — CID 63175419

IUPAC2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-5-6-12-8(14)7-13-9(11)10(2,3)4/h5-7H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyLRYBLOCZQDSDST-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds4

About 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide

2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide (PubChem CID 63175419) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide
PubChem CID63175419
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-5-6-12-8(14)7-13-9(11)10(2,3)4/h5-7H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyLRYBLOCZQDSDST-UHFFFAOYSA-N
XLogP0.92
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
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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Related Compounds

N-[2-[(1-amino-2,2-dimethylpropylidene)amino]ethyl]acetamide
CID 58089968
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 117670706
N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
CID 123259599
2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
CID 129093703
N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 142901498
2-amino-N-ethyl-2-methyliminoacetamide
CID 155120514
N-[2-(1-aminoethylideneamino)ethyl]-2-methylpropanamide
CID 160016536
2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
CID 166730048
(2Z)-2-Amino-N-butyl-2-(butylimino)acetamide
CID 13205744
(2Z)-2-Amino-N-(propan-2-yl)-2-[(propan-2-yl)imino]acetamide
CID 13205874

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide?
The IUPAC name of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide (CID 63175419) is 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide?
The canonical SMILES for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)C(C)(C)C.
What is the InChIKey of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide?
The InChIKey is LRYBLOCZQDSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-6-12-8(14)7-13-9(11)10(2,3)4/h5-7H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide?
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide has a molecular weight of 199.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,2-dimethylpropylidene)amino]-N-propylacetamide is sourced from PubChem (CID 63175419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).