N-(2,3-dimethylbutylidene)formamide

C7H13NO — CID 175564272

IUPACN-(2,3-dimethylbutylidene)formamide
SMILESCC(C)C(C)/C=N/C=O
InChIInChI=1S/C7H13NO/c1-6(2)7(3)4-8-5-9/h4-7H,1-3H3/b8-4+
InChIKeyMIZRGGQNAXPTLS-XBXARRHUSA-N
MW127.19 g/mol
LogP1.51
Rot. Bonds3

About N-(2,3-dimethylbutylidene)formamide

N-(2,3-dimethylbutylidene)formamide (PubChem CID 175564272) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2,3-dimethylbutylidene)formamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutylidene)formamide
PubChem CID175564272
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(2,3-dimethylbutylidene)formamide
SMILESCC(C)C(C)/C=N/C=O
InChIInChI=1S/C7H13NO/c1-6(2)7(3)4-8-5-9/h4-7H,1-3H3/b8-4+
InChIKeyMIZRGGQNAXPTLS-XBXARRHUSA-N
XLogP1.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutylidene)formamide?
The IUPAC name of N-(2,3-dimethylbutylidene)formamide (CID 175564272) is N-(2,3-dimethylbutylidene)formamide.
What is the SMILES notation for N-(2,3-dimethylbutylidene)formamide?
The canonical SMILES for N-(2,3-dimethylbutylidene)formamide is CC(C)C(C)/C=N/C=O.
What is the InChIKey of N-(2,3-dimethylbutylidene)formamide?
The InChIKey is MIZRGGQNAXPTLS-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7(3)4-8-5-9/h4-7H,1-3H3/b8-4+.
What are the key properties of N-(2,3-dimethylbutylidene)formamide?
N-(2,3-dimethylbutylidene)formamide has a molecular weight of 127.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutylidene)formamide is sourced from PubChem (CID 175564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).