3,5-dimethoxycyclohex-2-en-1-amine

C8H15NO2 — CID 91575023

IUPAC3,5-dimethoxycyclohex-2-en-1-amine
SMILESCOC1=CC(N)CC(OC)C1
InChIInChI=1S/C8H15NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,6,8H,4-5,9H2,1-2H3
InChIKeyAKBVBIAIZYCIFK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds2

About 3,5-dimethoxycyclohex-2-en-1-amine

3,5-dimethoxycyclohex-2-en-1-amine (PubChem CID 91575023) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3,5-dimethoxycyclohex-2-en-1-amine.

Molecular Properties

Compound Name3,5-dimethoxycyclohex-2-en-1-amine
PubChem CID91575023
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3,5-dimethoxycyclohex-2-en-1-amine
SMILESCOC1=CC(N)CC(OC)C1
InChIInChI=1S/C8H15NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,6,8H,4-5,9H2,1-2H3
InChIKeyAKBVBIAIZYCIFK-UHFFFAOYSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxycyclohex-2-en-1-amine?
The IUPAC name of 3,5-dimethoxycyclohex-2-en-1-amine (CID 91575023) is 3,5-dimethoxycyclohex-2-en-1-amine.
What is the SMILES notation for 3,5-dimethoxycyclohex-2-en-1-amine?
The canonical SMILES for 3,5-dimethoxycyclohex-2-en-1-amine is COC1=CC(N)CC(OC)C1.
What is the InChIKey of 3,5-dimethoxycyclohex-2-en-1-amine?
The InChIKey is AKBVBIAIZYCIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,6,8H,4-5,9H2,1-2H3.
What are the key properties of 3,5-dimethoxycyclohex-2-en-1-amine?
3,5-dimethoxycyclohex-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxycyclohex-2-en-1-amine is sourced from PubChem (CID 91575023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).