(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol

C19H35NO2 — CID 143259390

IUPAC(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol
SMILESC/C(=C\CCC(O)CCCCO)CNCCC1C=CCCC1
InChIInChI=1S/C19H35NO2/c1-17(8-7-12-19(22)11-5-6-15-21)16-20-14-13-18-9-3-2-4-10-18/h3,8-9,18-22H,2,4-7,10-16H2,1H3/b17-8+
InChIKeyVOLVJFSUZNNIDK-CAOOACKPSA-N
MW309.49 g/mol
LogP3.57
Rot. Bonds12

About (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol

(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol (PubChem CID 143259390) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol.

Molecular Properties

Compound Name(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol
PubChem CID143259390
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol
SMILESC/C(=C\CCC(O)CCCCO)CNCCC1C=CCCC1
InChIInChI=1S/C19H35NO2/c1-17(8-7-12-19(22)11-5-6-15-21)16-20-14-13-18-9-3-2-4-10-18/h3,8-9,18-22H,2,4-7,10-16H2,1H3/b17-8+
InChIKeyVOLVJFSUZNNIDK-CAOOACKPSA-N
XLogP3.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.57
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'}

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Related Compounds

4-[3-[[(3E,5E)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dienyl]amino]propyl]cyclohexan-1-ol
CID 172235548
4-Amino-4-(2-hydroxypropyl)-5-[(octadec-9-enylamino)methyl]octane-2,7-diol
CID 53782354
2-[[2-(Hydroxymethyl)octadec-9-enylamino]methyl]octadec-9-en-1-ol
CID 54274440
2-Methylidene-5-(1,2,3,6-tetrahydropyridin-4-yl)hexan-1-ol
CID 68213303
(5S)-9-[(2-cyclohexylethylamino)methyl]-6-methylundec-10-ene-1,1,5-triol
CID 70324981
(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
1-[[(2R)-1-cyclohex-3-en-1-ylpropan-2-yl]amino]hexadecan-1-ol
CID 70886588
4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 71022072
(Z)-3-[[[(Z)-2-(2-hydroxyethyl)octadec-9-enyl]amino]methyl]nonadec-10-en-1-ol
CID 87113579
4-[(Z)-17-aminoheptadec-8-enyl]heptane-2,6-diol
CID 88116726
4-amino-4-(2-hydroxypropyl)-5-[[[(Z)-octadec-9-enyl]amino]methyl]octane-2,7-diol
CID 88681264

Frequently Asked Questions

What is the IUPAC name of (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol?
The IUPAC name of (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol (CID 143259390) is (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol.
What is the SMILES notation for (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol?
The canonical SMILES for (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol is C/C(=C\CCC(O)CCCCO)CNCCC1C=CCCC1.
What is the InChIKey of (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol?
The InChIKey is VOLVJFSUZNNIDK-CAOOACKPSA-N. The full InChI is InChI=1S/C19H35NO2/c1-17(8-7-12-19(22)11-5-6-15-21)16-20-14-13-18-9-3-2-4-10-18/h3,8-9,18-22H,2,4-7,10-16H2,1H3/b17-8+.
What are the key properties of (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol?
(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol has a molecular weight of 309.49 g/mol, XLogP of 3.57, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol is sourced from PubChem (CID 143259390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).