(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine

C16H29N — CID 89024928

IUPAC(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
SMILESC=C(CC(C)CC/C=C\C=C\C)NCC(C)C
InChIInChI=1S/C16H29N/c1-6-7-8-9-10-11-15(4)12-16(5)17-13-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3/b7-6+,9-8-
InChIKeySLMKJMDWQCBOAJ-MUIOLIGRSA-N
MW235.41 g/mol
LogP4.68
Rot. Bonds9

About (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine

(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine (PubChem CID 89024928) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine.

Molecular Properties

Compound Name(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
PubChem CID89024928
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine
SMILESC=C(CC(C)CC/C=C\C=C\C)NCC(C)C
InChIInChI=1S/C16H29N/c1-6-7-8-9-10-11-15(4)12-16(5)17-13-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3/b7-6+,9-8-
InChIKeySLMKJMDWQCBOAJ-MUIOLIGRSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The IUPAC name of (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine (CID 89024928) is (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine.
What is the SMILES notation for (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The canonical SMILES for (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine is C=C(CC(C)CC/C=C\C=C\C)NCC(C)C.
What is the InChIKey of (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
The InChIKey is SLMKJMDWQCBOAJ-MUIOLIGRSA-N. The full InChI is InChI=1S/C16H29N/c1-6-7-8-9-10-11-15(4)12-16(5)17-13-14(2)3/h6-9,14-15,17H,5,10-13H2,1-4H3/b7-6+,9-8-.
What are the key properties of (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine?
(7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-4-methyl-N-(2-methylpropyl)undeca-1,7,9-trien-2-amine is sourced from PubChem (CID 89024928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).