(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol

C18H35NO2 — CID 39776337

IUPAC(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
SMILESC=CCC(O)(CC=C)CNCC[C@@H](C)CCCC(C)(C)O
InChIInChI=1S/C18H35NO2/c1-6-11-18(21,12-7-2)15-19-14-10-16(3)9-8-13-17(4,5)20/h6-7,16,19-21H,1-2,8-15H2,3-5H3/t16-/m0/s1
InChIKeyIVUSDQNZHOZQNJ-INIZCTEOSA-N
MW297.48 g/mol
LogP3.43
Rot. Bonds13

About (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol

(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol (PubChem CID 39776337) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
PubChem CID39776337
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
SMILESC=CCC(O)(CC=C)CNCC[C@@H](C)CCCC(C)(C)O
InChIInChI=1S/C18H35NO2/c1-6-11-18(21,12-7-2)15-19-14-10-16(3)9-8-13-17(4,5)20/h6-7,16,19-21H,1-2,8-15H2,3-5H3/t16-/m0/s1
InChIKeyIVUSDQNZHOZQNJ-INIZCTEOSA-N
XLogP3.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-Hydroxypropan-2-yl)octadec-9-enylamino]methyl]-2-methylnonadec-10-en-2-ol
CID 54353200
9-(6-Hydroxyhexylamino)-4-prop-2-enylnon-1-en-4-ol
CID 87685811
9-[(6-Hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
CID 87691483
(9Z,28Z)-18,20-diethyl-19-(methylaminomethyl)heptatriaconta-9,28-dien-19-ol
CID 88201591
(Z)-3-[[[(Z)-2-(2-hydroxypropan-2-yl)octadec-9-enyl]amino]methyl]-2-methylnonadec-10-en-2-ol
CID 88295960
(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
CID 144711875
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
(6R)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776340
4-{[(7-Hydroxy-3,7-dimethyloctyl)amino]methyl}-1,6-heptadien-4-ol
CID 45930657
4-Ethyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65118678
3-Methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65120575
1-[(Pent-4-enylamino)methyl]cycloheptan-1-ol
CID 65123060

Frequently Asked Questions

What is the IUPAC name of (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol?
The IUPAC name of (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol (CID 39776337) is (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol.
What is the SMILES notation for (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol?
The canonical SMILES for (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol is C=CCC(O)(CC=C)CNCC[C@@H](C)CCCC(C)(C)O.
What is the InChIKey of (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol?
The InChIKey is IVUSDQNZHOZQNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-11-18(21,12-7-2)15-19-14-10-16(3)9-8-13-17(4,5)20/h6-7,16,19-21H,1-2,8-15H2,3-5H3/t16-/m0/s1.
What are the key properties of (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol?
(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.43, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 39776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).