(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine

C11H19N — CID 166818334

IUPAC(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
SMILESC=C/C(=C\C)C(=C)C(C)(C)NC
InChIInChI=1S/C11H19N/c1-7-10(8-2)9(3)11(4,5)12-6/h7-8,12H,1,3H2,2,4-6H3/b10-8+
InChIKeyGLYIXCZMEMVXDC-CSKARUKUSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds4

About (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine

(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine (PubChem CID 166818334) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine.

Molecular Properties

Compound Name(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
PubChem CID166818334
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
SMILESC=C/C(=C\C)C(=C)C(C)(C)NC
InChIInChI=1S/C11H19N/c1-7-10(8-2)9(3)11(4,5)12-6/h7-8,12H,1,3H2,2,4-6H3/b10-8+
InChIKeyGLYIXCZMEMVXDC-CSKARUKUSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
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 (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine?
The IUPAC name of (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine (CID 166818334) is (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine.
What is the SMILES notation for (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine?
The canonical SMILES for (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine is C=C/C(=C\C)C(=C)C(C)(C)NC.
What is the InChIKey of (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine?
The InChIKey is GLYIXCZMEMVXDC-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(8-2)9(3)11(4,5)12-6/h7-8,12H,1,3H2,2,4-6H3/b10-8+.
What are the key properties of (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine?
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine is sourced from PubChem (CID 166818334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).