11-amino-11-ethyltrideca-7,9-diyn-6-ol

C15H25NO — CID 10537732

IUPAC11-amino-11-ethyltrideca-7,9-diyn-6-ol
SMILESCCCCCC(O)C#CC#CC(N)(CC)CC
InChIInChI=1S/C15H25NO/c1-4-7-8-11-14(17)12-9-10-13-15(16,5-2)6-3/h14,17H,4-8,11,16H2,1-3H3
InChIKeyYVUCZVLSZZAWNR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.45
Rot. Bonds6

About 11-amino-11-ethyltrideca-7,9-diyn-6-ol

11-amino-11-ethyltrideca-7,9-diyn-6-ol (PubChem CID 10537732) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 11-amino-11-ethyltrideca-7,9-diyn-6-ol.

Molecular Properties

Compound Name11-amino-11-ethyltrideca-7,9-diyn-6-ol
PubChem CID10537732
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name11-amino-11-ethyltrideca-7,9-diyn-6-ol
SMILESCCCCCC(O)C#CC#CC(N)(CC)CC
InChIInChI=1S/C15H25NO/c1-4-7-8-11-14(17)12-9-10-13-15(16,5-2)6-3/h14,17H,4-8,11,16H2,1-3H3
InChIKeyYVUCZVLSZZAWNR-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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dec-3-yne-2,5-diol
CID 154189679
(6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 162886871
(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
1-bromonon-2-yn-4-ol
CID 71364763
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
nona-5,7-diyn-4-ol
CID 13225481
6-ethyloctadec-4-yne-3,3-diol
CID 150851053
3-aminohenicosane-3,4-diol
CID 87769820
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349

Frequently Asked Questions

What is the IUPAC name of 11-amino-11-ethyltrideca-7,9-diyn-6-ol?
The IUPAC name of 11-amino-11-ethyltrideca-7,9-diyn-6-ol (CID 10537732) is 11-amino-11-ethyltrideca-7,9-diyn-6-ol.
What is the SMILES notation for 11-amino-11-ethyltrideca-7,9-diyn-6-ol?
The canonical SMILES for 11-amino-11-ethyltrideca-7,9-diyn-6-ol is CCCCCC(O)C#CC#CC(N)(CC)CC.
What is the InChIKey of 11-amino-11-ethyltrideca-7,9-diyn-6-ol?
The InChIKey is YVUCZVLSZZAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-8-11-14(17)12-9-10-13-15(16,5-2)6-3/h14,17H,4-8,11,16H2,1-3H3.
What are the key properties of 11-amino-11-ethyltrideca-7,9-diyn-6-ol?
11-amino-11-ethyltrideca-7,9-diyn-6-ol has a molecular weight of 235.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-11-ethyltrideca-7,9-diyn-6-ol is sourced from PubChem (CID 10537732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).