6-(hept-6-enylamino)-4-methylhexanoic acid

C14H27NO2 — CID 107007855

IUPAC6-(hept-6-enylamino)-4-methylhexanoic acid
SMILESC=CCCCCCNCCC(C)CCC(=O)O
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-11-15-12-10-13(2)8-9-14(16)17/h3,13,15H,1,4-12H2,2H3,(H,16,17)
InChIKeyZBSCQLLYVYPYBP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.21
Rot. Bonds12

About 6-(hept-6-enylamino)-4-methylhexanoic acid

6-(hept-6-enylamino)-4-methylhexanoic acid (PubChem CID 107007855) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-(hept-6-enylamino)-4-methylhexanoic acid.

Molecular Properties

Compound Name6-(hept-6-enylamino)-4-methylhexanoic acid
PubChem CID107007855
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-(hept-6-enylamino)-4-methylhexanoic acid
SMILESC=CCCCCCNCCC(C)CCC(=O)O
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-11-15-12-10-13(2)8-9-14(16)17/h3,13,15H,1,4-12H2,2H3,(H,16,17)
InChIKeyZBSCQLLYVYPYBP-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hept-6-enylamino)-4-methylhexanoic acid?
The IUPAC name of 6-(hept-6-enylamino)-4-methylhexanoic acid (CID 107007855) is 6-(hept-6-enylamino)-4-methylhexanoic acid.
What is the SMILES notation for 6-(hept-6-enylamino)-4-methylhexanoic acid?
The canonical SMILES for 6-(hept-6-enylamino)-4-methylhexanoic acid is C=CCCCCCNCCC(C)CCC(=O)O.
What is the InChIKey of 6-(hept-6-enylamino)-4-methylhexanoic acid?
The InChIKey is ZBSCQLLYVYPYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-11-15-12-10-13(2)8-9-14(16)17/h3,13,15H,1,4-12H2,2H3,(H,16,17).
What are the key properties of 6-(hept-6-enylamino)-4-methylhexanoic acid?
6-(hept-6-enylamino)-4-methylhexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hept-6-enylamino)-4-methylhexanoic acid is sourced from PubChem (CID 107007855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).