(2R)-1-aminohex-5-yn-2-ol

C6H11NO — CID 97030752

IUPAC(2R)-1-aminohex-5-yn-2-ol
SMILESC#CCC[C@@H](O)CN
InChIInChI=1S/C6H11NO/c1-2-3-4-6(8)5-7/h1,6,8H,3-5,7H2/t6-/m1/s1
InChIKeyJUUPISMKQGJUEL-ZCFIWIBFSA-N
MW113.16 g/mol
LogP-0.28
Rot. Bonds3

About (2R)-1-aminohex-5-yn-2-ol

(2R)-1-aminohex-5-yn-2-ol (PubChem CID 97030752) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2R)-1-aminohex-5-yn-2-ol.

Molecular Properties

Compound Name(2R)-1-aminohex-5-yn-2-ol
PubChem CID97030752
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2R)-1-aminohex-5-yn-2-ol
SMILESC#CCC[C@@H](O)CN
InChIInChI=1S/C6H11NO/c1-2-3-4-6(8)5-7/h1,6,8H,3-5,7H2/t6-/m1/s1
InChIKeyJUUPISMKQGJUEL-ZCFIWIBFSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.28
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

2-fluorohex-5-yn-1-amine
CID 112562766
1-aminopent-4-yn-2-ol;hydrochloride
CID 122360379
1,24-diaminotetracosane-2,23-diol
CID 175286632
(4S)-oct-1-en-7-yn-4-ol
CID 101065772
1,1,1-trifluorohept-6-yn-3-ol
CID 63657299
(2R,3R)-hept-6-yne-1,2,3-triol
CID 10877233
dodec-1-yne-5,8-diol
CID 87593549
6-aminohexane-1,2,5-triol
CID 19694623
CID 175729762
CID 175729762
1-cyclobutylhex-5-yn-2-ol
CID 103170011
1-phenylhept-6-yn-3-ol
CID 63657298
1-(2-methoxyethoxy)hept-6-yn-3-ol
CID 102927511

Frequently Asked Questions

What is the IUPAC name of (2R)-1-aminohex-5-yn-2-ol?
The IUPAC name of (2R)-1-aminohex-5-yn-2-ol (CID 97030752) is (2R)-1-aminohex-5-yn-2-ol.
What is the SMILES notation for (2R)-1-aminohex-5-yn-2-ol?
The canonical SMILES for (2R)-1-aminohex-5-yn-2-ol is C#CCC[C@@H](O)CN.
What is the InChIKey of (2R)-1-aminohex-5-yn-2-ol?
The InChIKey is JUUPISMKQGJUEL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-6(8)5-7/h1,6,8H,3-5,7H2/t6-/m1/s1.
What are the key properties of (2R)-1-aminohex-5-yn-2-ol?
(2R)-1-aminohex-5-yn-2-ol has a molecular weight of 113.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-aminohex-5-yn-2-ol is sourced from PubChem (CID 97030752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).