(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol

C14H29NO — CID 166998489

IUPAC(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
SMILESCCNCC(O)C(C)CC/C=C(/C)C(C)C
InChIInChI=1S/C14H29NO/c1-6-15-10-14(16)13(5)9-7-8-12(4)11(2)3/h8,11,13-16H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyXFPAODMXEXOAJE-WQLSENKSSA-N
MW227.39 g/mol
LogP2.98
Rot. Bonds8

About (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol

(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol (PubChem CID 166998489) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
PubChem CID166998489
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
SMILESCCNCC(O)C(C)CC/C=C(/C)C(C)C
InChIInChI=1S/C14H29NO/c1-6-15-10-14(16)13(5)9-7-8-12(4)11(2)3/h8,11,13-16H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyXFPAODMXEXOAJE-WQLSENKSSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644482
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093237
3,7-Dimethyl-1-(methylamino)oct-6-ene-2,3-diol
CID 13933151
1-(Ethylamino)-3,7-dimethyloct-6-ene-2,3-diol
CID 13933153
3,7-Dimethyl-1-(propylamino)oct-6-ene-2,3-diol
CID 13933154
1-(Butylamino)-3,7-dimethyloct-6-ene-2,3-diol
CID 13933156
1-(3-Hydroxypropylamino)-3,7-dimethyloct-6-ene-2,3-diol
CID 17884878
3,7-Dimethyl-2-(propylamino)oct-6-ene-1,3-diol
CID 19928727

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol?
The IUPAC name of (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol (CID 166998489) is (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol.
What is the SMILES notation for (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol?
The canonical SMILES for (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol is CCNCC(O)C(C)CC/C=C(/C)C(C)C.
What is the InChIKey of (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol?
The InChIKey is XFPAODMXEXOAJE-WQLSENKSSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15-10-14(16)13(5)9-7-8-12(4)11(2)3/h8,11,13-16H,6-7,9-10H2,1-5H3/b12-8-.
What are the key properties of (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol?
(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol is sourced from PubChem (CID 166998489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).