(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol

C8H15NO2 — CID 141023692

IUPAC(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol
SMILESC#C[C@@H](O)[C@@H](NCC)[C@@H](C)O
InChIInChI=1S/C8H15NO2/c1-4-7(11)8(6(3)10)9-5-2/h1,6-11H,5H2,2-3H3/t6-,7-,8+/m1/s1
InChIKeyARTYLKICSVVHGP-PRJMDXOYSA-N
MW157.21 g/mol
LogP-0.66
Rot. Bonds4

About (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol

(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol (PubChem CID 141023692) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol
PubChem CID141023692
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol
SMILESC#C[C@@H](O)[C@@H](NCC)[C@@H](C)O
InChIInChI=1S/C8H15NO2/c1-4-7(11)8(6(3)10)9-5-2/h1,6-11H,5H2,2-3H3/t6-,7-,8+/m1/s1
InChIKeyARTYLKICSVVHGP-PRJMDXOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)prop-2-yn-1-ol
CID 123392756
4-methylhex-1-yn-3-ol
CID 64914374
N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine
CID 116720318
N-ethyl-5,6,6-trimethylhept-1-yn-3-amine
CID 104995359
N-ethylpent-4-yn-2-amine
CID 62233889
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
CID 105158261
(2R,3R)-3-(methylamino)pent-4-yn-2-ol
CID 141023691
5-(ethylamino)hex-1-yn-3-one
CID 116566739
6-(ethylamino)hept-1-yn-4-one
CID 116566586
(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol?
The IUPAC name of (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol (CID 141023692) is (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol.
What is the SMILES notation for (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol?
The canonical SMILES for (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol is C#C[C@@H](O)[C@@H](NCC)[C@@H](C)O.
What is the InChIKey of (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol?
The InChIKey is ARTYLKICSVVHGP-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(11)8(6(3)10)9-5-2/h1,6-11H,5H2,2-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol?
(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol has a molecular weight of 157.21 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol is sourced from PubChem (CID 141023692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).