N-(2-methylhexylidene)formamide

C8H15NO — CID 139566900

IUPACN-(2-methylhexylidene)formamide
SMILESCCCCC(C)/C=N/C=O
InChIInChI=1S/C8H15NO/c1-3-4-5-8(2)6-9-7-10/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyURBXPJBKVKOZOJ-RMKNXTFCSA-N
MW141.21 g/mol
LogP2.04
Rot. Bonds5

About N-(2-methylhexylidene)formamide

N-(2-methylhexylidene)formamide (PubChem CID 139566900) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(2-methylhexylidene)formamide.

Molecular Properties

Compound NameN-(2-methylhexylidene)formamide
PubChem CID139566900
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(2-methylhexylidene)formamide
SMILESCCCCC(C)/C=N/C=O
InChIInChI=1S/C8H15NO/c1-3-4-5-8(2)6-9-7-10/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyURBXPJBKVKOZOJ-RMKNXTFCSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.04
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-methylhexylidene)formamide?
The IUPAC name of N-(2-methylhexylidene)formamide (CID 139566900) is N-(2-methylhexylidene)formamide.
What is the SMILES notation for N-(2-methylhexylidene)formamide?
The canonical SMILES for N-(2-methylhexylidene)formamide is CCCCC(C)/C=N/C=O.
What is the InChIKey of N-(2-methylhexylidene)formamide?
The InChIKey is URBXPJBKVKOZOJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8(2)6-9-7-10/h6-8H,3-5H2,1-2H3/b9-6+.
What are the key properties of N-(2-methylhexylidene)formamide?
N-(2-methylhexylidene)formamide has a molecular weight of 141.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexylidene)formamide is sourced from PubChem (CID 139566900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).