6-(hex-5-ynylamino)hexanoic acid

C12H21NO2 — CID 106212008

IUPAC6-(hex-5-ynylamino)hexanoic acid
SMILESC#CCCCCNCCCCCC(=O)O
InChIInChI=1S/C12H21NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h1,13H,3-11H2,(H,14,15)
InChIKeyZRQBRSNZXQGTMJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds10

About 6-(hex-5-ynylamino)hexanoic acid

6-(hex-5-ynylamino)hexanoic acid (PubChem CID 106212008) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6-(hex-5-ynylamino)hexanoic acid.

Molecular Properties

Compound Name6-(hex-5-ynylamino)hexanoic acid
PubChem CID106212008
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6-(hex-5-ynylamino)hexanoic acid
SMILESC#CCCCCNCCCCCC(=O)O
InChIInChI=1S/C12H21NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h1,13H,3-11H2,(H,14,15)
InChIKeyZRQBRSNZXQGTMJ-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadec-16-ynoic acid
CID 5312626
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
3-(hex-5-ynylamino)propanamide
CID 106211456
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
12-(pentylamino)dodecanoic acid
CID 57245176
6-(2-bromoethylamino)hexanoic acid
CID 102350693
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086

Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-ynylamino)hexanoic acid?
The IUPAC name of 6-(hex-5-ynylamino)hexanoic acid (CID 106212008) is 6-(hex-5-ynylamino)hexanoic acid.
What is the SMILES notation for 6-(hex-5-ynylamino)hexanoic acid?
The canonical SMILES for 6-(hex-5-ynylamino)hexanoic acid is C#CCCCCNCCCCCC(=O)O.
What is the InChIKey of 6-(hex-5-ynylamino)hexanoic acid?
The InChIKey is ZRQBRSNZXQGTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h1,13H,3-11H2,(H,14,15).
What are the key properties of 6-(hex-5-ynylamino)hexanoic acid?
6-(hex-5-ynylamino)hexanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-ynylamino)hexanoic acid is sourced from PubChem (CID 106212008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).