(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol

C13H23NO — CID 2054254

IUPAC(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol
SMILESC=CCC[C@](C)(O)C#CCN(CC)CC
InChIInChI=1S/C13H23NO/c1-5-8-10-13(4,15)11-9-12-14(6-2)7-3/h5,15H,1,6-8,10,12H2,2-4H3/t13-/m0/s1
InChIKeySZAIQQIEAYFDEU-ZDUSSCGKSA-N
MW209.33 g/mol
LogP2.05
Rot. Bonds6

About (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol

(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol (PubChem CID 2054254) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol.

Molecular Properties

Compound Name(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol
PubChem CID2054254
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol
SMILESC=CCC[C@](C)(O)C#CCN(CC)CC
InChIInChI=1S/C13H23NO/c1-5-8-10-13(4,15)11-9-12-14(6-2)7-3/h5,15H,1,6-8,10,12H2,2-4H3/t13-/m0/s1
InChIKeySZAIQQIEAYFDEU-ZDUSSCGKSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
N-but-3-enyl-N-ethyl-3,3-dimethylbutan-1-amine
CID 89010873
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
1,7-bis[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methylpurine-2,6-dione
CID 15390921
N-but-3-enyl-2,2-dimethyl-N-propylpropan-1-amine;ethane
CID 176957810
4-methylhept-2-yne-1,4-diol
CID 14416471
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
7-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-1-propylpurine-2,6-dione
CID 15390920
5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
CID 10774684
5-methylnon-1-en-3-yn-5-ol
CID 13206978
2-[ethyl(octa-3,7-dienyl)amino]ethanol
CID 87095832
2,5,5-trimethylnona-1,8-diene
CID 59085403

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol?
The IUPAC name of (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol (CID 2054254) is (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol.
What is the SMILES notation for (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol?
The canonical SMILES for (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol is C=CCC[C@](C)(O)C#CCN(CC)CC.
What is the InChIKey of (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol?
The InChIKey is SZAIQQIEAYFDEU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-10-13(4,15)11-9-12-14(6-2)7-3/h5,15H,1,6-8,10,12H2,2-4H3/t13-/m0/s1.
What are the key properties of (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol?
(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol is sourced from PubChem (CID 2054254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).