1-amino-2,3-dimethylnon-4-yne-2,3-diol

C11H21NO2 — CID 141319209

IUPAC1-amino-2,3-dimethylnon-4-yne-2,3-diol
SMILESCCCCC#CC(C)(O)C(C)(O)CN
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-10(2,13)11(3,14)9-12/h13-14H,4-6,9,12H2,1-3H3
InChIKeyHWURNSJDDYCPRD-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.64
Rot. Bonds4

About 1-amino-2,3-dimethylnon-4-yne-2,3-diol

1-amino-2,3-dimethylnon-4-yne-2,3-diol (PubChem CID 141319209) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-amino-2,3-dimethylnon-4-yne-2,3-diol.

Molecular Properties

Compound Name1-amino-2,3-dimethylnon-4-yne-2,3-diol
PubChem CID141319209
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-amino-2,3-dimethylnon-4-yne-2,3-diol
SMILESCCCCC#CC(C)(O)C(C)(O)CN
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-10(2,13)11(3,14)9-12/h13-14H,4-6,9,12H2,1-3H3
InChIKeyHWURNSJDDYCPRD-UHFFFAOYSA-N
XLogP0.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methylnon-4-yn-3-ol
CID 71352867
3-(aminomethyl)-2,2-dimethylundec-4-yn-3-ol
CID 13113251
2-methyldec-5-yn-2-ol
CID 135039864
6-methyltridec-7-yn-6-ol
CID 10353086
2-chloro-2-methyloct-3-yne
CID 10855756
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178
2-methyldec-3-yne-1,2-diol
CID 121216457
3-methylundec-1-en-4-yn-3-ol
CID 121007343
2-methylhept-3-yn-2-ol
CID 566135
3-methoxy-3-methylnon-4-yne
CID 101213955
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dimethylnon-4-yne-2,3-diol?
The IUPAC name of 1-amino-2,3-dimethylnon-4-yne-2,3-diol (CID 141319209) is 1-amino-2,3-dimethylnon-4-yne-2,3-diol.
What is the SMILES notation for 1-amino-2,3-dimethylnon-4-yne-2,3-diol?
The canonical SMILES for 1-amino-2,3-dimethylnon-4-yne-2,3-diol is CCCCC#CC(C)(O)C(C)(O)CN.
What is the InChIKey of 1-amino-2,3-dimethylnon-4-yne-2,3-diol?
The InChIKey is HWURNSJDDYCPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-6-7-8-10(2,13)11(3,14)9-12/h13-14H,4-6,9,12H2,1-3H3.
What are the key properties of 1-amino-2,3-dimethylnon-4-yne-2,3-diol?
1-amino-2,3-dimethylnon-4-yne-2,3-diol has a molecular weight of 199.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dimethylnon-4-yne-2,3-diol is sourced from PubChem (CID 141319209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).