2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

C17H20N2 — CID 115124335

IUPAC2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCN(c1ccc2c(c1)CCCC2)c1ccccc1N
InChIInChI=1S/C17H20N2/c1-19(17-9-5-4-8-16(17)18)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7,18H2,1H3
InChIKeyHJECCOYQYDUIJZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.92
Rot. Bonds2

About 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine

2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (PubChem CID 115124335) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
PubChem CID115124335
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
SMILESCN(c1ccc2c(c1)CCCC2)c1ccccc1N
InChIInChI=1S/C17H20N2/c1-19(17-9-5-4-8-16(17)18)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7,18H2,1H3
InChIKeyHJECCOYQYDUIJZ-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine (CID 115124335) is 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is CN(c1ccc2c(c1)CCCC2)c1ccccc1N.
What is the InChIKey of 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
The InChIKey is HJECCOYQYDUIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(17-9-5-4-8-16(17)18)15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-12H,2-3,6-7,18H2,1H3.
What are the key properties of 2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine?
2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.92, 2 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-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 115124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).