2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C17H26N2O — CID 115418967

IUPAC2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCOCCN(C1CC1)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H26N2O/c1-12-11-16(19(9-10-20-2)13-7-8-13)17(18)15-6-4-3-5-14(12)15/h3-6,12-13,16-17H,7-11,18H2,1-2H3
InChIKeyQDGYMGUMERTMRO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.67
Rot. Bonds5

About 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 115418967) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID115418967
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCOCCN(C1CC1)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C17H26N2O/c1-12-11-16(19(9-10-20-2)13-7-8-13)17(18)15-6-4-3-5-14(12)15/h3-6,12-13,16-17H,7-11,18H2,1-2H3
InChIKeyQDGYMGUMERTMRO-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 115418967) is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is COCCN(C1CC1)C1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is QDGYMGUMERTMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-11-16(19(9-10-20-2)13-7-8-13)17(18)15-6-4-3-5-14(12)15/h3-6,12-13,16-17H,7-11,18H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 115418967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).