N,N,2,3,4-pentamethylhexanamide

C11H23NO — CID 12640864

IUPACN,N,2,3,4-pentamethylhexanamide
SMILESCCC(C)C(C)C(C)C(=O)N(C)C
InChIInChI=1S/C11H23NO/c1-7-8(2)9(3)10(4)11(13)12(5)6/h8-10H,7H2,1-6H3
InChIKeyBMCSJESMIITRLH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.39
Rot. Bonds4

About N,N,2,3,4-pentamethylhexanamide

N,N,2,3,4-pentamethylhexanamide (PubChem CID 12640864) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N,2,3,4-pentamethylhexanamide.

Molecular Properties

Compound NameN,N,2,3,4-pentamethylhexanamide
PubChem CID12640864
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N,2,3,4-pentamethylhexanamide
SMILESCCC(C)C(C)C(C)C(=O)N(C)C
InChIInChI=1S/C11H23NO/c1-7-8(2)9(3)10(4)11(13)12(5)6/h8-10H,7H2,1-6H3
InChIKeyBMCSJESMIITRLH-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,4-pentamethylhexanamide?
The IUPAC name of N,N,2,3,4-pentamethylhexanamide (CID 12640864) is N,N,2,3,4-pentamethylhexanamide.
What is the SMILES notation for N,N,2,3,4-pentamethylhexanamide?
The canonical SMILES for N,N,2,3,4-pentamethylhexanamide is CCC(C)C(C)C(C)C(=O)N(C)C.
What is the InChIKey of N,N,2,3,4-pentamethylhexanamide?
The InChIKey is BMCSJESMIITRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-8(2)9(3)10(4)11(13)12(5)6/h8-10H,7H2,1-6H3.
What are the key properties of N,N,2,3,4-pentamethylhexanamide?
N,N,2,3,4-pentamethylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,4-pentamethylhexanamide is sourced from PubChem (CID 12640864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).