1-aminopent-4-yn-2-ol;hydrochloride

C5H10ClNO — CID 122360379

IUPAC1-aminopent-4-yn-2-ol;hydrochloride
SMILESC#CCC(O)CN.Cl
InChIInChI=1S/C5H9NO.ClH/c1-2-3-5(7)4-6;/h1,5,7H,3-4,6H2;1H
InChIKeyKOANJOXWAJZRFK-UHFFFAOYSA-N
MW135.59 g/mol
LogP-0.25
Rot. Bonds2

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

1-aminopent-4-yn-2-ol;hydrochloride (PubChem CID 122360379) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 1-aminopent-4-yn-2-ol;hydrochloride.

Molecular Properties

Compound Name1-aminopent-4-yn-2-ol;hydrochloride
PubChem CID122360379
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name1-aminopent-4-yn-2-ol;hydrochloride
SMILESC#CCC(O)CN.Cl
InChIInChI=1S/C5H9NO.ClH/c1-2-3-5(7)4-6;/h1,5,7H,3-4,6H2;1H
InChIKeyKOANJOXWAJZRFK-UHFFFAOYSA-N
XLogP-0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 5-0.25
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

(2R)-1-aminohex-5-yn-2-ol
CID 97030752
(2R)-2-fluoropent-4-yn-1-amine
CID 129393026
CID 175729762
CID 175729762
non-8-yne-3,6-diol
CID 141036935
hept-6-yne-1,4-diol
CID 106677963
2,3-dimethylhex-5-yn-1-amine
CID 81011283
4-hydroxyhept-6-ynoic acid
CID 55299360
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
2-amino-2-methylhex-5-yn-3-ol
CID 130589365
2-aminopent-4-ynoic acid;hydrochloride
CID 53229946
bis(1,3-diaminopropan-2-ol);nickel(2+);dithiocyanate
CID 161084268
(3S)-2-methylhex-5-yn-3-ol
CID 11789160

Frequently Asked Questions

What is the IUPAC name of 1-aminopent-4-yn-2-ol;hydrochloride?
The IUPAC name of 1-aminopent-4-yn-2-ol;hydrochloride (CID 122360379) is 1-aminopent-4-yn-2-ol;hydrochloride.
What is the SMILES notation for 1-aminopent-4-yn-2-ol;hydrochloride?
The canonical SMILES for 1-aminopent-4-yn-2-ol;hydrochloride is C#CCC(O)CN.Cl.
What is the InChIKey of 1-aminopent-4-yn-2-ol;hydrochloride?
The InChIKey is KOANJOXWAJZRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-2-3-5(7)4-6;/h1,5,7H,3-4,6H2;1H.
What are the key properties of 1-aminopent-4-yn-2-ol;hydrochloride?
1-aminopent-4-yn-2-ol;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopent-4-yn-2-ol;hydrochloride is sourced from PubChem (CID 122360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).