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

C10H21NO — CID 3569815

IUPAC3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-6-11-10(12)7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeySFJNQVNXPDMPPH-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.19
Rot. Bonds5

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

3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 3569815) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)butanamide
PubChem CID3569815
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-6-11-10(12)7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeySFJNQVNXPDMPPH-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)butanamide (CID 3569815) is 3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is SFJNQVNXPDMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)5-6-11-10(12)7-9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 3-methyl-N-(3-methylbutyl)butanamide?
3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 171.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 3569815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).