(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine

C10H15N — CID 129215884

IUPAC(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(\C)N)C(=C)C
InChIInChI=1S/C10H15N/c1-5-10(8(2)3)7-6-9(4)11/h5-7H,1-2,11H2,3-4H3/b9-6-,10-7+
InChIKeyJLDYROVTEZIBTG-PCCLLEMOSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine

(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine (PubChem CID 129215884) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine
PubChem CID129215884
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(\C)N)C(=C)C
InChIInChI=1S/C10H15N/c1-5-10(8(2)3)7-6-9(4)11/h5-7H,1-2,11H2,3-4H3/b9-6-,10-7+
InChIKeyJLDYROVTEZIBTG-PCCLLEMOSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
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 (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine (CID 129215884) is (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(\C)N)C(=C)C.
What is the InChIKey of (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine?
The InChIKey is JLDYROVTEZIBTG-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H15N/c1-5-10(8(2)3)7-6-9(4)11/h5-7H,1-2,11H2,3-4H3/b9-6-,10-7+.
What are the key properties of (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine?
(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 129215884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).