4-(hex-5-ynylamino)butan-2-ol

C10H19NO — CID 106211383

IUPAC4-(hex-5-ynylamino)butan-2-ol
SMILESC#CCCCCNCCC(C)O
InChIInChI=1S/C10H19NO/c1-3-4-5-6-8-11-9-7-10(2)12/h1,10-12H,4-9H2,2H3
InChIKeyOBTDXARESDVUEV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds7

About 4-(hex-5-ynylamino)butan-2-ol

4-(hex-5-ynylamino)butan-2-ol (PubChem CID 106211383) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)butan-2-ol.

Molecular Properties

Compound Name4-(hex-5-ynylamino)butan-2-ol
PubChem CID106211383
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(hex-5-ynylamino)butan-2-ol
SMILESC#CCCCCNCCC(C)O
InChIInChI=1S/C10H19NO/c1-3-4-5-6-8-11-9-7-10(2)12/h1,10-12H,4-9H2,2H3
InChIKeyOBTDXARESDVUEV-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
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

dodec-11-yn-2-ol
CID 14044485
4-(prop-2-ynylamino)butan-2-ol
CID 64911944
non-8-yn-2-ol
CID 11275050
5-(prop-2-ynylamino)pentan-2-ol
CID 106122641
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
3-(hex-5-ynylamino)propanamide
CID 106211456
N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
3-(hex-5-ynylamino)propanenitrile
CID 106211843
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)butan-2-ol?
The IUPAC name of 4-(hex-5-ynylamino)butan-2-ol (CID 106211383) is 4-(hex-5-ynylamino)butan-2-ol.
What is the SMILES notation for 4-(hex-5-ynylamino)butan-2-ol?
The canonical SMILES for 4-(hex-5-ynylamino)butan-2-ol is C#CCCCCNCCC(C)O.
What is the InChIKey of 4-(hex-5-ynylamino)butan-2-ol?
The InChIKey is OBTDXARESDVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-6-8-11-9-7-10(2)12/h1,10-12H,4-9H2,2H3.
What are the key properties of 4-(hex-5-ynylamino)butan-2-ol?
4-(hex-5-ynylamino)butan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-ynylamino)butan-2-ol is sourced from PubChem (CID 106211383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).