2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C16H26N2 — CID 63980779

IUPAC2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCC(C)(C)N(C)C1CCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-5-16(2,3)18(4)14-11-10-12-8-6-7-9-13(12)15(14)17/h6-9,14-15H,5,10-11,17H2,1-4H3
InChIKeyMURMORIXNCBMOE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

About 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 63980779) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID63980779
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCC(C)(C)N(C)C1CCc2ccccc2C1N
InChIInChI=1S/C16H26N2/c1-5-16(2,3)18(4)14-11-10-12-8-6-7-9-13(12)15(14)17/h6-9,14-15H,5,10-11,17H2,1-4H3
InChIKeyMURMORIXNCBMOE-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 63980779) is 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCC(C)(C)N(C)C1CCc2ccccc2C1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is MURMORIXNCBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-16(2,3)18(4)14-11-10-12-8-6-7-9-13(12)15(14)17/h6-9,14-15H,5,10-11,17H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 63980779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).