1-(prop-2-ynylamino)butan-2-ol

C7H13NO — CID 60885196

IUPAC1-(prop-2-ynylamino)butan-2-ol
SMILESC#CCNCC(O)CC
InChIInChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h1,7-9H,4-6H2,2H3
InChIKeyWVWQLZJLNMBVAI-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds4

About 1-(prop-2-ynylamino)butan-2-ol

1-(prop-2-ynylamino)butan-2-ol (PubChem CID 60885196) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(prop-2-ynylamino)butan-2-ol.

Molecular Properties

Compound Name1-(prop-2-ynylamino)butan-2-ol
PubChem CID60885196
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(prop-2-ynylamino)butan-2-ol
SMILESC#CCNCC(O)CC
InChIInChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h1,7-9H,4-6H2,2H3
InChIKeyWVWQLZJLNMBVAI-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
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

3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
2,3-dimethyl-N-prop-2-ynylbutan-1-amine
CID 64568255
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
1-(octadecylamino)butan-2-ol
CID 174541083
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
(2S)-4-(prop-2-ynylamino)butane-1,2-diol
CID 170451741
1-(2-methoxyethylamino)butan-2-ol
CID 60885611

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynylamino)butan-2-ol?
The IUPAC name of 1-(prop-2-ynylamino)butan-2-ol (CID 60885196) is 1-(prop-2-ynylamino)butan-2-ol.
What is the SMILES notation for 1-(prop-2-ynylamino)butan-2-ol?
The canonical SMILES for 1-(prop-2-ynylamino)butan-2-ol is C#CCNCC(O)CC.
What is the InChIKey of 1-(prop-2-ynylamino)butan-2-ol?
The InChIKey is WVWQLZJLNMBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-8-6-7(9)4-2/h1,7-9H,4-6H2,2H3.
What are the key properties of 1-(prop-2-ynylamino)butan-2-ol?
1-(prop-2-ynylamino)butan-2-ol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynylamino)butan-2-ol is sourced from PubChem (CID 60885196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).