(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine

C15H26N2 — CID 130390226

IUPAC(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine
SMILESC=CC/C(CN(C)C(C)C)=C(\C=C/N=C)CC
InChIInChI=1S/C15H26N2/c1-7-9-15(12-17(6)13(3)4)14(8-2)10-11-16-5/h7,10-11,13H,1,5,8-9,12H2,2-4,6H3/b11-10-,15-14+
InChIKeyLMCUZTBJIFHXEL-HHAKQIEWSA-N
MW234.39 g/mol
LogP3.82
Rot. Bonds8

About (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine

(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine (PubChem CID 130390226) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine
PubChem CID130390226
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine
SMILESC=CC/C(CN(C)C(C)C)=C(\C=C/N=C)CC
InChIInChI=1S/C15H26N2/c1-7-9-15(12-17(6)13(3)4)14(8-2)10-11-16-5/h7,10-11,13H,1,5,8-9,12H2,2-4,6H3/b11-10-,15-14+
InChIKeyLMCUZTBJIFHXEL-HHAKQIEWSA-N
XLogP3.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine (CID 130390226) is (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine is C=CC/C(CN(C)C(C)C)=C(\C=C/N=C)CC.
What is the InChIKey of (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine?
The InChIKey is LMCUZTBJIFHXEL-HHAKQIEWSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-9-15(12-17(6)13(3)4)14(8-2)10-11-16-5/h7,10-11,13H,1,5,8-9,12H2,2-4,6H3/b11-10-,15-14+.
What are the key properties of (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine?
(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine is sourced from PubChem (CID 130390226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).