1-cyano-N,N-di(propan-2-yl)formamide

C8H14N2O — CID 566142

IUPAC1-cyano-N,N-di(propan-2-yl)formamide
SMILESCC(C)N(C(=O)C#N)C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,1-4H3
InChIKeyVYWMZRCTDJVLME-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.16
Rot. Bonds2

About 1-cyano-N,N-di(propan-2-yl)formamide

1-cyano-N,N-di(propan-2-yl)formamide (PubChem CID 566142) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-cyano-N,N-di(propan-2-yl)formamide.

Molecular Properties

Compound Name1-cyano-N,N-di(propan-2-yl)formamide
PubChem CID566142
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-cyano-N,N-di(propan-2-yl)formamide
SMILESCC(C)N(C(=O)C#N)C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,1-4H3
InChIKeyVYWMZRCTDJVLME-UHFFFAOYSA-N
XLogP1.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

N,N-Diisopropylacetamide
CID 69797
N-(cyanomethyl)-N-methylacetamide
CID 539036
N-(2-cyanoethyl)-N-methylacetamide
CID 1988455
N-(propan-2-yl)-N-propylacetamide
CID 23273431
N-methyl-N-(1-methylethyl)-acetamide
CID 14782182
N,N-Dibutan-2-ylacetamide
CID 437099
N-(2-cyanoethyl)-N-(propan-2-yl)acetamide
CID 61586143
N-ethyl-N-isopropylacetamide
CID 14597977
N-butan-2-yl-N-ethylacetamide;ethane
CID 178102878
N-[(1S)-1-cyano-3-fluoropropyl]-N-ethylacetamide
CID 88266195
N,N-bis(2-cyanoethyl)acetamide
CID 305401
N-butan-2-yl-N-ethylacetamide
CID 21719904

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-di(propan-2-yl)formamide?
The IUPAC name of 1-cyano-N,N-di(propan-2-yl)formamide (CID 566142) is 1-cyano-N,N-di(propan-2-yl)formamide.
What is the SMILES notation for 1-cyano-N,N-di(propan-2-yl)formamide?
The canonical SMILES for 1-cyano-N,N-di(propan-2-yl)formamide is CC(C)N(C(=O)C#N)C(C)C.
What is the InChIKey of 1-cyano-N,N-di(propan-2-yl)formamide?
The InChIKey is VYWMZRCTDJVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,1-4H3.
What are the key properties of 1-cyano-N,N-di(propan-2-yl)formamide?
1-cyano-N,N-di(propan-2-yl)formamide has a molecular weight of 154.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-di(propan-2-yl)formamide is sourced from PubChem (CID 566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).