3,3,4-trimethyl-N-(3-methylbutyl)pentanamide

C13H27NO — CID 71386918

IUPAC3,3,4-trimethyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CC(C)(C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-8-14-12(15)9-13(5,6)11(3)4/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyMJFCMDMAUKTBPR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.22
Rot. Bonds6

About 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide

3,3,4-trimethyl-N-(3-methylbutyl)pentanamide (PubChem CID 71386918) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name3,3,4-trimethyl-N-(3-methylbutyl)pentanamide
PubChem CID71386918
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,3,4-trimethyl-N-(3-methylbutyl)pentanamide
SMILESCC(C)CCNC(=O)CC(C)(C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-8-14-12(15)9-13(5,6)11(3)4/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyMJFCMDMAUKTBPR-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide?
The IUPAC name of 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide (CID 71386918) is 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide?
The canonical SMILES for 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide is CC(C)CCNC(=O)CC(C)(C)C(C)C.
What is the InChIKey of 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide?
The InChIKey is MJFCMDMAUKTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-8-14-12(15)9-13(5,6)11(3)4/h10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide?
3,3,4-trimethyl-N-(3-methylbutyl)pentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 71386918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).