3,5,5-trimethyl-N-pentylhexanamide

C14H29NO — CID 151425945

IUPAC3,5,5-trimethyl-N-pentylhexanamide
SMILESCCCCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-15-13(16)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyPBMYCJQNFDFWGR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.76
Rot. Bonds7

About 3,5,5-trimethyl-N-pentylhexanamide

3,5,5-trimethyl-N-pentylhexanamide (PubChem CID 151425945) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-pentylhexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-pentylhexanamide
PubChem CID151425945
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,5,5-trimethyl-N-pentylhexanamide
SMILESCCCCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-7-8-9-15-13(16)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyPBMYCJQNFDFWGR-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-pentylhexanamide?
The IUPAC name of 3,5,5-trimethyl-N-pentylhexanamide (CID 151425945) is 3,5,5-trimethyl-N-pentylhexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-pentylhexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-pentylhexanamide is CCCCCNC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-pentylhexanamide?
The InChIKey is PBMYCJQNFDFWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-8-9-15-13(16)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of 3,5,5-trimethyl-N-pentylhexanamide?
3,5,5-trimethyl-N-pentylhexanamide has a molecular weight of 227.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-pentylhexanamide is sourced from PubChem (CID 151425945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).