2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide

C12H25N3O — CID 166729784

IUPAC2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-11(2,3)8-12(4,5)10(13)15-7-9(16)14-6/h7-8H2,1-6H3,(H2,13,15)(H,14,16)
InChIKeyDXCCCKJZWGGPTL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds4

About 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide

2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide (PubChem CID 166729784) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide
PubChem CID166729784
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-11(2,3)8-12(4,5)10(13)15-7-9(16)14-6/h7-8H2,1-6H3,(H2,13,15)(H,14,16)
InChIKeyDXCCCKJZWGGPTL-UHFFFAOYSA-N
XLogP1.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
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

2-[(1-amino-4-methylpentylidene)amino]-2-imino-N-methylacetamide
CID 155337045
2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
CID 166730048
2-[(1-amino-2,2-dimethylpropylidene)amino]-N-methylacetamide
CID 63175773
2-[[amino(cyclopentyl)methylidene]amino]-N-methylacetamide
CID 63175828

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide?
The IUPAC name of 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide (CID 166729784) is 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide?
The canonical SMILES for 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide is CNC(=O)C/N=C(\N)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide?
The InChIKey is DXCCCKJZWGGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,3)8-12(4,5)10(13)15-7-9(16)14-6/h7-8H2,1-6H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide?
2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide has a molecular weight of 227.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,2,4,4-tetramethylpentylidene)amino]-N-methylacetamide is sourced from PubChem (CID 166729784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).