(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine

C12H22N2O — CID 88960997

IUPAC(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine
SMILESC=C/C(OC)=C(\C=C(/N)C(C)(C)C)NC
InChIInChI=1S/C12H22N2O/c1-7-10(15-6)9(14-5)8-11(13)12(2,3)4/h7-8,14H,1,13H2,2-6H3/b10-9-,11-8-
InChIKeyCLPGWIOZVBYSJV-QCTTUENDSA-N
MW210.32 g/mol
LogP2.14
Rot. Bonds4

About (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine

(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine (PubChem CID 88960997) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine.

Molecular Properties

Compound Name(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine
PubChem CID88960997
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine
SMILESC=C/C(OC)=C(\C=C(/N)C(C)(C)C)NC
InChIInChI=1S/C12H22N2O/c1-7-10(15-6)9(14-5)8-11(13)12(2,3)4/h7-8,14H,1,13H2,2-6H3/b10-9-,11-8-
InChIKeyCLPGWIOZVBYSJV-QCTTUENDSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine?
The IUPAC name of (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine (CID 88960997) is (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine.
What is the SMILES notation for (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine?
The canonical SMILES for (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine is C=C/C(OC)=C(\C=C(/N)C(C)(C)C)NC.
What is the InChIKey of (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine?
The InChIKey is CLPGWIOZVBYSJV-QCTTUENDSA-N. The full InChI is InChI=1S/C12H22N2O/c1-7-10(15-6)9(14-5)8-11(13)12(2,3)4/h7-8,14H,1,13H2,2-6H3/b10-9-,11-8-.
What are the key properties of (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine?
(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine is sourced from PubChem (CID 88960997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).