5-(prop-2-ynylamino)pentan-2-ol

C8H15NO — CID 106122641

IUPAC5-(prop-2-ynylamino)pentan-2-ol
SMILESC#CCNCCCC(C)O
InChIInChI=1S/C8H15NO/c1-3-6-9-7-4-5-8(2)10/h1,8-10H,4-7H2,2H3
InChIKeyAKMYGFDXXKZBEN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds5

About 5-(prop-2-ynylamino)pentan-2-ol

5-(prop-2-ynylamino)pentan-2-ol (PubChem CID 106122641) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(prop-2-ynylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(prop-2-ynylamino)pentan-2-ol
PubChem CID106122641
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(prop-2-ynylamino)pentan-2-ol
SMILESC#CCNCCCC(C)O
InChIInChI=1S/C8H15NO/c1-3-6-9-7-4-5-8(2)10/h1,8-10H,4-7H2,2H3
InChIKeyAKMYGFDXXKZBEN-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.37
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

4-(prop-2-ynylamino)butan-2-ol
CID 64911944
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
(2S)-4-(prop-2-ynylamino)butane-1,2-diol
CID 170451741
3-iodo-N-prop-2-ynylbutan-1-amine
CID 140987161
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
5-(prop-2-enylamino)pentan-2-ol
CID 55286599
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
3-fluoro-N-prop-2-ynylpropan-1-amine
CID 81106793
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922

Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-ynylamino)pentan-2-ol?
The IUPAC name of 5-(prop-2-ynylamino)pentan-2-ol (CID 106122641) is 5-(prop-2-ynylamino)pentan-2-ol.
What is the SMILES notation for 5-(prop-2-ynylamino)pentan-2-ol?
The canonical SMILES for 5-(prop-2-ynylamino)pentan-2-ol is C#CCNCCCC(C)O.
What is the InChIKey of 5-(prop-2-ynylamino)pentan-2-ol?
The InChIKey is AKMYGFDXXKZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-9-7-4-5-8(2)10/h1,8-10H,4-7H2,2H3.
What are the key properties of 5-(prop-2-ynylamino)pentan-2-ol?
5-(prop-2-ynylamino)pentan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-ynylamino)pentan-2-ol is sourced from PubChem (CID 106122641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).