5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine

C14H20N2O2 — CID 129319267

IUPAC5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine
SMILESCOC1(OC)CC(N)(N)CC=C1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-17-14(18-2)10-13(15,16)9-8-12(14)11-6-4-3-5-7-11/h3-8H,9-10,15-16H2,1-2H3
InChIKeyYPEFNDLGZNMYSE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds3

About 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine

5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine (PubChem CID 129319267) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine.

Molecular Properties

Compound Name5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine
PubChem CID129319267
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine
SMILESCOC1(OC)CC(N)(N)CC=C1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-17-14(18-2)10-13(15,16)9-8-12(14)11-6-4-3-5-7-11/h3-8H,9-10,15-16H2,1-2H3
InChIKeyYPEFNDLGZNMYSE-UHFFFAOYSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dibromo-1-methoxy-2-phenylcyclohex-2-en-1-amine
CID 70183955
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589
4,4,6,6-tetrachloro-1-phenylcyclohexene
CID 53412432
(1-methoxy-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 68649281
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
3,3,4,4-tetramethoxy-6,6-dimethyl-1-phenylcyclohexene
CID 170991659
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
2-methoxy-2,5-diphenyl-3H-furan
CID 13263851
3,5,5-trimethoxy-2-phenylcyclohexa-1,3-diene
CID 45116827

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine?
The IUPAC name of 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine (CID 129319267) is 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine.
What is the SMILES notation for 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine?
The canonical SMILES for 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine is COC1(OC)CC(N)(N)CC=C1c1ccccc1.
What is the InChIKey of 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine?
The InChIKey is YPEFNDLGZNMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-14(18-2)10-13(15,16)9-8-12(14)11-6-4-3-5-7-11/h3-8H,9-10,15-16H2,1-2H3.
What are the key properties of 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine?
5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine is sourced from PubChem (CID 129319267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).