(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine

C13H18N2 — CID 130282245

IUPAC(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine
SMILESC=C(/C=C\C=C/N)/C(C)=C/C=C\C=N\C
InChIInChI=1S/C13H18N2/c1-12(8-4-6-10-14)13(2)9-5-7-11-15-3/h4-11H,1,14H2,2-3H3/b7-5-,8-4-,10-6-,13-9+,15-11+
InChIKeyKTBDZHTTXBLIOP-KVHWGTCISA-N
MW202.30 g/mol
LogP2.77
Rot. Bonds5

About (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine

(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine (PubChem CID 130282245) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine
PubChem CID130282245
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine
SMILESC=C(/C=C\C=C/N)/C(C)=C/C=C\C=N\C
InChIInChI=1S/C13H18N2/c1-12(8-4-6-10-14)13(2)9-5-7-11-15-3/h4-11H,1,14H2,2-3H3/b7-5-,8-4-,10-6-,13-9+,15-11+
InChIKeyKTBDZHTTXBLIOP-KVHWGTCISA-N
XLogP2.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine?
The IUPAC name of (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine (CID 130282245) is (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine.
What is the SMILES notation for (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine?
The canonical SMILES for (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine is C=C(/C=C\C=C/N)/C(C)=C/C=C\C=N\C.
What is the InChIKey of (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine?
The InChIKey is KTBDZHTTXBLIOP-KVHWGTCISA-N. The full InChI is InChI=1S/C13H18N2/c1-12(8-4-6-10-14)13(2)9-5-7-11-15-3/h4-11H,1,14H2,2-3H3/b7-5-,8-4-,10-6-,13-9+,15-11+.
What are the key properties of (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine?
(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine is sourced from PubChem (CID 130282245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).