4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine

C13H21NO2 — CID 168970731

IUPAC4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine
SMILESC=C(OC)C1=C(/C(=C\C)OC)CC(N)CC1
InChIInChI=1S/C13H21NO2/c1-5-13(16-4)12-8-10(14)6-7-11(12)9(2)15-3/h5,10H,2,6-8,14H2,1,3-4H3/b13-5+
InChIKeyUHJYVOVHUABCPZ-WLRTZDKTSA-N
MW223.32 g/mol
LogP2.50
Rot. Bonds4

About 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine

4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine (PubChem CID 168970731) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine
PubChem CID168970731
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine
SMILESC=C(OC)C1=C(/C(=C\C)OC)CC(N)CC1
InChIInChI=1S/C13H21NO2/c1-5-13(16-4)12-8-10(14)6-7-11(12)9(2)15-3/h5,10H,2,6-8,14H2,1,3-4H3/b13-5+
InChIKeyUHJYVOVHUABCPZ-WLRTZDKTSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine?
The IUPAC name of 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine (CID 168970731) is 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine is C=C(OC)C1=C(/C(=C\C)OC)CC(N)CC1.
What is the InChIKey of 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine?
The InChIKey is UHJYVOVHUABCPZ-WLRTZDKTSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-13(16-4)12-8-10(14)6-7-11(12)9(2)15-3/h5,10H,2,6-8,14H2,1,3-4H3/b13-5+.
What are the key properties of 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine?
4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-3-[(E)-1-methoxyprop-1-enyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 168970731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).