(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol

C14H20N2O — CID 88964566

IUPAC(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol
SMILESC=C(/C=C(C)\C=C/N)/C(N)=C/C(=C\C)C(=C)O
InChIInChI=1S/C14H20N2O/c1-5-13(12(4)17)9-14(16)11(3)8-10(2)6-7-15/h5-9,17H,3-4,15-16H2,1-2H3/b7-6-,10-8-,13-5+,14-9-
InChIKeyMTVIBXINESLMNR-TVFIUMLFSA-N
MW232.33 g/mol
LogP2.82
Rot. Bonds5

About (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol

(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol (PubChem CID 88964566) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol.

Molecular Properties

Compound Name(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol
PubChem CID88964566
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol
SMILESC=C(/C=C(C)\C=C/N)/C(N)=C/C(=C\C)C(=C)O
InChIInChI=1S/C14H20N2O/c1-5-13(12(4)17)9-14(16)11(3)8-10(2)6-7-15/h5-9,17H,3-4,15-16H2,1-2H3/b7-6-,10-8-,13-5+,14-9-
InChIKeyMTVIBXINESLMNR-TVFIUMLFSA-N
XLogP2.82
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol?
The IUPAC name of (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol (CID 88964566) is (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol.
What is the SMILES notation for (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol?
The canonical SMILES for (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol is C=C(/C=C(C)\C=C/N)/C(N)=C/C(=C\C)C(=C)O.
What is the InChIKey of (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol?
The InChIKey is MTVIBXINESLMNR-TVFIUMLFSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-13(12(4)17)9-14(16)11(3)8-10(2)6-7-15/h5-9,17H,3-4,15-16H2,1-2H3/b7-6-,10-8-,13-5+,14-9-.
What are the key properties of (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol?
(3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,7Z,9Z)-5,10-diamino-3-ethylidene-8-methyl-6-methylidenedeca-1,4,7,9-tetraen-2-ol is sourced from PubChem (CID 88964566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).