(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine

C19H36N2 — CID 170273230

IUPAC(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine
SMILESC=CN(CC/C(C)=C/C(=N/C(C)CC)C(C)C)CC(C)C
InChIInChI=1S/C19H36N2/c1-9-18(8)20-19(16(5)6)13-17(7)11-12-21(10-2)14-15(3)4/h10,13,15-16,18H,2,9,11-12,14H2,1,3-8H3/b17-13+,20-19-
InChIKeyHWYOGWFDWXMXQO-YWKYIXQJSA-N
MW292.51 g/mol
LogP5.32
Rot. Bonds10

About (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine

(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine (PubChem CID 170273230) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine
PubChem CID170273230
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine
SMILESC=CN(CC/C(C)=C/C(=N/C(C)CC)C(C)C)CC(C)C
InChIInChI=1S/C19H36N2/c1-9-18(8)20-19(16(5)6)13-17(7)11-12-21(10-2)14-15(3)4/h10,13,15-16,18H,2,9,11-12,14H2,1,3-8H3/b17-13+,20-19-
InChIKeyHWYOGWFDWXMXQO-YWKYIXQJSA-N
XLogP5.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine?
The IUPAC name of (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine (CID 170273230) is (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine.
What is the SMILES notation for (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine?
The canonical SMILES for (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine is C=CN(CC/C(C)=C/C(=N/C(C)CC)C(C)C)CC(C)C.
What is the InChIKey of (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine?
The InChIKey is HWYOGWFDWXMXQO-YWKYIXQJSA-N. The full InChI is InChI=1S/C19H36N2/c1-9-18(8)20-19(16(5)6)13-17(7)11-12-21(10-2)14-15(3)4/h10,13,15-16,18H,2,9,11-12,14H2,1,3-8H3/b17-13+,20-19-.
What are the key properties of (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine?
(E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine has a molecular weight of 292.51 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-butan-2-ylimino-N-ethenyl-3,6-dimethyl-N-(2-methylpropyl)hept-3-en-1-amine is sourced from PubChem (CID 170273230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).