N-hexan-2-yl-N-methylformamide

C8H17NO — CID 54496310

IUPACN-hexan-2-yl-N-methylformamide
SMILESCCCCC(C)N(C)C=O
InChIInChI=1S/C8H17NO/c1-4-5-6-8(2)9(3)7-10/h7-8H,4-6H2,1-3H3
InChIKeyNCIVQCJVDGDJAE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.65
Rot. Bonds5

About N-hexan-2-yl-N-methylformamide

N-hexan-2-yl-N-methylformamide (PubChem CID 54496310) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-hexan-2-yl-N-methylformamide.

Molecular Properties

Compound NameN-hexan-2-yl-N-methylformamide
PubChem CID54496310
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-hexan-2-yl-N-methylformamide
SMILESCCCCC(C)N(C)C=O
InChIInChI=1S/C8H17NO/c1-4-5-6-8(2)9(3)7-10/h7-8H,4-6H2,1-3H3
InChIKeyNCIVQCJVDGDJAE-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-N-methylformamide?
The IUPAC name of N-hexan-2-yl-N-methylformamide (CID 54496310) is N-hexan-2-yl-N-methylformamide.
What is the SMILES notation for N-hexan-2-yl-N-methylformamide?
The canonical SMILES for N-hexan-2-yl-N-methylformamide is CCCCC(C)N(C)C=O.
What is the InChIKey of N-hexan-2-yl-N-methylformamide?
The InChIKey is NCIVQCJVDGDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6-8(2)9(3)7-10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-hexan-2-yl-N-methylformamide?
N-hexan-2-yl-N-methylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-N-methylformamide is sourced from PubChem (CID 54496310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).