(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine

C19H34N2 — CID 130374413

IUPAC(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
SMILESC=C(C/C(=N\C)C(CC)NC(C)C)/C(=C\C=C\CC)CC
InChIInChI=1S/C19H34N2/c1-8-11-12-13-17(9-2)16(6)14-19(20-7)18(10-3)21-15(4)5/h11-13,15,18,21H,6,8-10,14H2,1-5,7H3/b12-11+,17-13-,20-19+
InChIKeyPYEZTEYBOVXTEY-UBUGDMNTSA-N
MW290.50 g/mol
LogP5.08
Rot. Bonds10

About (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine

(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine (PubChem CID 130374413) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine.

Molecular Properties

Compound Name(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
PubChem CID130374413
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
SMILESC=C(C/C(=N\C)C(CC)NC(C)C)/C(=C\C=C\CC)CC
InChIInChI=1S/C19H34N2/c1-8-11-12-13-17(9-2)16(6)14-19(20-7)18(10-3)21-15(4)5/h11-13,15,18,21H,6,8-10,14H2,1-5,7H3/b12-11+,17-13-,20-19+
InChIKeyPYEZTEYBOVXTEY-UBUGDMNTSA-N
XLogP5.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.08
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 (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine?
The IUPAC name of (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine (CID 130374413) is (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine.
What is the SMILES notation for (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine?
The canonical SMILES for (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine is C=C(C/C(=N\C)C(CC)NC(C)C)/C(=C\C=C\CC)CC.
What is the InChIKey of (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine?
The InChIKey is PYEZTEYBOVXTEY-UBUGDMNTSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-11-12-13-17(9-2)16(6)14-19(20-7)18(10-3)21-15(4)5/h11-13,15,18,21H,6,8-10,14H2,1-5,7H3/b12-11+,17-13-,20-19+.
What are the key properties of (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine?
(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine has a molecular weight of 290.50 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine is sourced from PubChem (CID 130374413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).