(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol

C16H26N2O — CID 143440668

IUPAC(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol
SMILESC=C/C=C\C(O)=C(/C)C(=C)C=CC(C)NCCNC
InChIInChI=1S/C16H26N2O/c1-6-7-8-16(19)15(4)13(2)9-10-14(3)18-12-11-17-5/h6-10,14,17-19H,1-2,11-12H2,3-5H3/b8-7-,10-9?,16-15-
InChIKeyLEKHDNUFLJKNQH-UFFAPEDPSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds9

About (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol

(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol (PubChem CID 143440668) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol.

Molecular Properties

Compound Name(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol
PubChem CID143440668
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol
SMILESC=C/C=C\C(O)=C(/C)C(=C)C=CC(C)NCCNC
InChIInChI=1S/C16H26N2O/c1-6-7-8-16(19)15(4)13(2)9-10-14(3)18-12-11-17-5/h6-10,14,17-19H,1-2,11-12H2,3-5H3/b8-7-,10-9?,16-15-
InChIKeyLEKHDNUFLJKNQH-UFFAPEDPSA-N
XLogP2.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol?
The IUPAC name of (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol (CID 143440668) is (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol.
What is the SMILES notation for (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol?
The canonical SMILES for (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol is C=C/C=C\C(O)=C(/C)C(=C)C=CC(C)NCCNC.
What is the InChIKey of (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol?
The InChIKey is LEKHDNUFLJKNQH-UFFAPEDPSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-7-8-16(19)15(4)13(2)9-10-14(3)18-12-11-17-5/h6-10,14,17-19H,1-2,11-12H2,3-5H3/b8-7-,10-9?,16-15-.
What are the key properties of (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol?
(3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol has a molecular weight of 262.40 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-methyl-10-[2-(methylamino)ethylamino]-7-methylideneundeca-1,3,5,8-tetraen-5-ol is sourced from PubChem (CID 143440668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).