(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine

C10H17N — CID 67951637

IUPAC(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine
SMILESC[C@@H](N)/C=C\C1CC=CCC1
InChIInChI=1S/C10H17N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-3,7-10H,4-6,11H2,1H3/b8-7-/t9-,10?/m1/s1
InChIKeyYNKDDDWKWJKDAS-BZCIWKCSSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds2

About (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine

(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine (PubChem CID 67951637) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine
PubChem CID67951637
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine
SMILESC[C@@H](N)/C=C\C1CC=CCC1
InChIInChI=1S/C10H17N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-3,7-10H,4-6,11H2,1H3/b8-7-/t9-,10?/m1/s1
InChIKeyYNKDDDWKWJKDAS-BZCIWKCSSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
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 (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine?
The IUPAC name of (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine (CID 67951637) is (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine.
What is the SMILES notation for (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine?
The canonical SMILES for (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine is C[C@@H](N)/C=C\C1CC=CCC1.
What is the InChIKey of (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine?
The InChIKey is YNKDDDWKWJKDAS-BZCIWKCSSA-N. The full InChI is InChI=1S/C10H17N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-3,7-10H,4-6,11H2,1H3/b8-7-/t9-,10?/m1/s1.
What are the key properties of (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine?
(Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-4-cyclohex-3-en-1-ylbut-3-en-2-amine is sourced from PubChem (CID 67951637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).