(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol

C13H26N2O — CID 135353498

IUPAC(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol
SMILESCNCCNCC1(C)CC/C=C\C(O)CC1
InChIInChI=1S/C13H26N2O/c1-13(11-15-10-9-14-2)7-4-3-5-12(16)6-8-13/h3,5,12,14-16H,4,6-11H2,1-2H3/b5-3-
InChIKeyFQYQVTJXQZAMGT-HYXAFXHYSA-N
MW226.36 g/mol
LogP1.29
Rot. Bonds5

About (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol

(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol (PubChem CID 135353498) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol.

Molecular Properties

Compound Name(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol
PubChem CID135353498
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol
SMILESCNCCNCC1(C)CC/C=C\C(O)CC1
InChIInChI=1S/C13H26N2O/c1-13(11-15-10-9-14-2)7-4-3-5-12(16)6-8-13/h3,5,12,14-16H,4,6-11H2,1-2H3/b5-3-
InChIKeyFQYQVTJXQZAMGT-HYXAFXHYSA-N
XLogP1.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol?
The IUPAC name of (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol (CID 135353498) is (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol.
What is the SMILES notation for (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol?
The canonical SMILES for (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol is CNCCNCC1(C)CC/C=C\C(O)CC1.
What is the InChIKey of (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol?
The InChIKey is FQYQVTJXQZAMGT-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(11-15-10-9-14-2)7-4-3-5-12(16)6-8-13/h3,5,12,14-16H,4,6-11H2,1-2H3/b5-3-.
What are the key properties of (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol?
(2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methyl-6-[[2-(methylamino)ethylamino]methyl]cyclooct-2-en-1-ol is sourced from PubChem (CID 135353498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).