(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine

C11H19N — CID 131460732

IUPAC(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine
SMILESC/C(=C\C1CC=CCC1)C(C)N
InChIInChI=1S/C11H19N/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-4,8,10-11H,5-7,12H2,1-2H3/b9-8+
InChIKeyNIUPYXVWYLNHDC-CMDGGOBGSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds2

About (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine

(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine (PubChem CID 131460732) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine
PubChem CID131460732
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine
SMILESC/C(=C\C1CC=CCC1)C(C)N
InChIInChI=1S/C11H19N/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-4,8,10-11H,5-7,12H2,1-2H3/b9-8+
InChIKeyNIUPYXVWYLNHDC-CMDGGOBGSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine (CID 131460732) is (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine is C/C(=C\C1CC=CCC1)C(C)N.
What is the InChIKey of (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine?
The InChIKey is NIUPYXVWYLNHDC-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19N/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-4,8,10-11H,5-7,12H2,1-2H3/b9-8+.
What are the key properties of (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine?
(E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohex-3-en-1-yl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 131460732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).