(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine

C13H20N2 — CID 155330360

IUPAC(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C(=C\C(NC)=C(/C=C)N=C)C(C)C
InChIInChI=1S/C13H20N2/c1-7-11(10(3)4)9-13(15-6)12(8-2)14-5/h7-10,15H,1-2,5H2,3-4,6H3/b11-9+,13-12-
InChIKeyGIAPLZCOBKVQBF-ZFDSPDROSA-N
MW204.32 g/mol
LogP3.07
Rot. Bonds6

About (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine

(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine (PubChem CID 155330360) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine
PubChem CID155330360
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C(=C\C(NC)=C(/C=C)N=C)C(C)C
InChIInChI=1S/C13H20N2/c1-7-11(10(3)4)9-13(15-6)12(8-2)14-5/h7-10,15H,1-2,5H2,3-4,6H3/b11-9+,13-12-
InChIKeyGIAPLZCOBKVQBF-ZFDSPDROSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.07
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 (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine (CID 155330360) is (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine is C=C/C(=C\C(NC)=C(/C=C)N=C)C(C)C.
What is the InChIKey of (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine?
The InChIKey is GIAPLZCOBKVQBF-ZFDSPDROSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-11(10(3)4)9-13(15-6)12(8-2)14-5/h7-10,15H,1-2,5H2,3-4,6H3/b11-9+,13-12-.
What are the key properties of (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine?
(3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine has a molecular weight of 204.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-3-(methylideneamino)-6-propan-2-ylocta-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 155330360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).