2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine

C12H18N2O2 — CID 54337349

IUPAC2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine
SMILESCONc1cc2c(cc1NOC)CCCC2
InChIInChI=1S/C12H18N2O2/c1-15-13-11-7-9-5-3-4-6-10(9)8-12(11)14-16-2/h7-8,13-14H,3-6H2,1-2H3
InChIKeyTWKVCYCWYXKHGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.51
Rot. Bonds4

About 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine

2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine (PubChem CID 54337349) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine
PubChem CID54337349
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine
SMILESCONc1cc2c(cc1NOC)CCCC2
InChIInChI=1S/C12H18N2O2/c1-15-13-11-7-9-5-3-4-6-10(9)8-12(11)14-16-2/h7-8,13-14H,3-6H2,1-2H3
InChIKeyTWKVCYCWYXKHGI-UHFFFAOYSA-N
XLogP2.51
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
CID 54041165
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
CID 102138920
methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 116860571

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine?
The IUPAC name of 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine (CID 54337349) is 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine?
The canonical SMILES for 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine is CONc1cc2c(cc1NOC)CCCC2.
What is the InChIKey of 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine?
The InChIKey is TWKVCYCWYXKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-13-11-7-9-5-3-4-6-10(9)8-12(11)14-16-2/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine?
2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine is sourced from PubChem (CID 54337349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).