N-(2,3-dimethylbutyl)-N-methylformamide

C8H17NO — CID 54514988

IUPACN-(2,3-dimethylbutyl)-N-methylformamide
SMILESCC(C)C(C)CN(C)C=O
InChIInChI=1S/C8H17NO/c1-7(2)8(3)5-9(4)6-10/h6-8H,5H2,1-4H3
InChIKeyYDVVMACPHMHUTN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds4

About N-(2,3-dimethylbutyl)-N-methylformamide

N-(2,3-dimethylbutyl)-N-methylformamide (PubChem CID 54514988) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-N-methylformamide
PubChem CID54514988
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2,3-dimethylbutyl)-N-methylformamide
SMILESCC(C)C(C)CN(C)C=O
InChIInChI=1S/C8H17NO/c1-7(2)8(3)5-9(4)6-10/h6-8H,5H2,1-4H3
InChIKeyYDVVMACPHMHUTN-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
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-(2,3-dimethylbutyl)-N-methylformamide?
The IUPAC name of N-(2,3-dimethylbutyl)-N-methylformamide (CID 54514988) is N-(2,3-dimethylbutyl)-N-methylformamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-N-methylformamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-N-methylformamide is CC(C)C(C)CN(C)C=O.
What is the InChIKey of N-(2,3-dimethylbutyl)-N-methylformamide?
The InChIKey is YDVVMACPHMHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)8(3)5-9(4)6-10/h6-8H,5H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutyl)-N-methylformamide?
N-(2,3-dimethylbutyl)-N-methylformamide has a molecular weight of 143.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-N-methylformamide is sourced from PubChem (CID 54514988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).