N-methyl-N-(3-methylbutyl)butanamide

C10H21NO — CID 60738361

IUPACN-methyl-N-(3-methylbutyl)butanamide
SMILESCCCC(=O)N(C)CCC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-10(12)11(4)8-7-9(2)3/h9H,5-8H2,1-4H3
InChIKeyPQPIJQIZMQDNIT-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-N-(3-methylbutyl)butanamide

N-methyl-N-(3-methylbutyl)butanamide (PubChem CID 60738361) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)butanamide
PubChem CID60738361
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-N-(3-methylbutyl)butanamide
SMILESCCCC(=O)N(C)CCC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-10(12)11(4)8-7-9(2)3/h9H,5-8H2,1-4H3
InChIKeyPQPIJQIZMQDNIT-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)butanamide (CID 60738361) is N-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)butanamide is CCCC(=O)N(C)CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is PQPIJQIZMQDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-10(12)11(4)8-7-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutyl)butanamide?
N-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 171.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 60738361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).