(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine

C13H20N2 — CID 170038183

IUPAC(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine
SMILESC=C/C=N/C(C(=C)C(C)C)=C(\C)NC=C
InChIInChI=1S/C13H20N2/c1-7-9-15-13(11(5)10(3)4)12(6)14-8-2/h7-10,14H,1-2,5H2,3-4,6H3/b13-12+,15-9+
InChIKeyKVDJRADFMWTWKK-XSICDGKGSA-N
MW204.32 g/mol
LogP3.42
Rot. Bonds6

About (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine

(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine (PubChem CID 170038183) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine
PubChem CID170038183
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine
SMILESC=C/C=N/C(C(=C)C(C)C)=C(\C)NC=C
InChIInChI=1S/C13H20N2/c1-7-9-15-13(11(5)10(3)4)12(6)14-8-2/h7-10,14H,1-2,5H2,3-4,6H3/b13-12+,15-9+
InChIKeyKVDJRADFMWTWKK-XSICDGKGSA-N
XLogP3.42
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 ≤ 53.42
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 (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine?
The IUPAC name of (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine (CID 170038183) is (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine.
What is the SMILES notation for (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine?
The canonical SMILES for (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine is C=C/C=N/C(C(=C)C(C)C)=C(\C)NC=C.
What is the InChIKey of (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine?
The InChIKey is KVDJRADFMWTWKK-XSICDGKGSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-9-15-13(11(5)10(3)4)12(6)14-8-2/h7-10,14H,1-2,5H2,3-4,6H3/b13-12+,15-9+.
What are the key properties of (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine?
(E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-5-methyl-4-methylidene-3-(prop-2-enylideneamino)hex-2-en-2-amine is sourced from PubChem (CID 170038183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).