(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol

C8H15NO — CID 58790036

IUPAC(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol
SMILESCC(C)(C)C#C[C@H](N)CO
InChIInChI=1S/C8H15NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,6,9H2,1-3H3/t7-/m0/s1
InChIKeyYDKPZGGTYOYWGY-ZETCQYMHSA-N
MW141.21 g/mol
LogP0.36
Rot. Bonds1

About (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol

(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol (PubChem CID 58790036) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol
PubChem CID58790036
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol
SMILESCC(C)(C)C#C[C@H](N)CO
InChIInChI=1S/C8H15NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,6,9H2,1-3H3/t7-/m0/s1
InChIKeyYDKPZGGTYOYWGY-ZETCQYMHSA-N
XLogP0.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.36
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)-2-amino-5,5-dimethylhex-3-yn-1-ol;2,3,6,6-tetramethylhept-4-yn-3-ol;2,2,5,5-tetramethylhex-3-yn-1-ol;N,N,4,4-tetramethylpent-2-yn-1-amine;2,6,6-trimethylhept-4-yn-3-ol
CID 158338347
2,2,5,8-tetramethylnon-3-yne
CID 170609135
(2S)-2-amino-3-methyl-3-sulfanylbutan-1-ol
CID 55285045
5-ethylsulfanyl-2,2-dimethylhex-3-yne
CID 102373655
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
4-aminopent-2-yn-1-ol
CID 22024864
(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
CID 55290183
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
2-amino-3,3-difluorobutan-1-ol;ethane
CID 170584930
4,4-dimethylpent-2-yn-1-amine
CID 55281321
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-aminopropan-1-ol;hydrofluoride
CID 22617394

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol?
The IUPAC name of (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol (CID 58790036) is (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol.
What is the SMILES notation for (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol?
The canonical SMILES for (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol is CC(C)(C)C#C[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol?
The InChIKey is YDKPZGGTYOYWGY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)5-4-7(9)6-10/h7,10H,6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol?
(2S)-2-amino-5,5-dimethylhex-3-yn-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5-dimethylhex-3-yn-1-ol is sourced from PubChem (CID 58790036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).