4-aminopent-2-yn-1-ol

C5H9NO — CID 22024864

IUPAC4-aminopent-2-yn-1-ol
SMILESCC(N)C#CCO
InChIInChI=1S/C5H9NO/c1-5(6)3-2-4-7/h5,7H,4,6H2,1H3
InChIKeyOWQZBDJWQCBBDP-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.67
Rot. Bonds

About 4-aminopent-2-yn-1-ol

4-aminopent-2-yn-1-ol (PubChem CID 22024864) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 4-aminopent-2-yn-1-ol.

Molecular Properties

Compound Name4-aminopent-2-yn-1-ol
PubChem CID22024864
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name4-aminopent-2-yn-1-ol
SMILESCC(N)C#CCO
InChIInChI=1S/C5H9NO/c1-5(6)3-2-4-7/h5,7H,4,6H2,1H3
InChIKeyOWQZBDJWQCBBDP-UHFFFAOYSA-N
XLogP-0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

non-3-yn-2-amine
CID 85230211
(4S)-hex-2-yne-1,4-diol
CID 102369829
dodec-3-yn-2-amine
CID 135042011
2,5-dimethylhex-3-yn-2-ol;4-methylpent-2-yn-1-ol
CID 157228272
dimethyl 2-(6-hydroxy-2-methylhex-4-yn-3-yl)propanedioate
CID 121002086
4-methoxyhept-5-en-2-yn-1-ol
CID 85444412
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
(E)-non-5-en-2,7-diyne-1,4,9-triol
CID 15806321
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol
CID 58790036
1-prop-1-ynoxybut-2-yne-1,4-diol
CID 175457291
(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
CID 102322037

Frequently Asked Questions

What is the IUPAC name of 4-aminopent-2-yn-1-ol?
The IUPAC name of 4-aminopent-2-yn-1-ol (CID 22024864) is 4-aminopent-2-yn-1-ol.
What is the SMILES notation for 4-aminopent-2-yn-1-ol?
The canonical SMILES for 4-aminopent-2-yn-1-ol is CC(N)C#CCO.
What is the InChIKey of 4-aminopent-2-yn-1-ol?
The InChIKey is OWQZBDJWQCBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(6)3-2-4-7/h5,7H,4,6H2,1H3.
What are the key properties of 4-aminopent-2-yn-1-ol?
4-aminopent-2-yn-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopent-2-yn-1-ol is sourced from PubChem (CID 22024864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).