3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine

C17H21N3 — CID 115147935

IUPAC3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3/c1-12-8-16(18)11-20-17(12)19-10-13-6-7-14-4-2-3-5-15(14)9-13/h6-9,11H,2-5,10,18H2,1H3,(H,19,20)
InChIKeyLUYBKWWGEVYQSP-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.46
Rot. Bonds3

About 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine

3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine (PubChem CID 115147935) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine
PubChem CID115147935
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3/c1-12-8-16(18)11-20-17(12)19-10-13-6-7-14-4-2-3-5-15(14)9-13/h6-9,11H,2-5,10,18H2,1H3,(H,19,20)
InChIKeyLUYBKWWGEVYQSP-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine (CID 115147935) is 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NCc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine?
The InChIKey is LUYBKWWGEVYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-8-16(18)11-20-17(12)19-10-13-6-7-14-4-2-3-5-15(14)9-13/h6-9,11H,2-5,10,18H2,1H3,(H,19,20).
What are the key properties of 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine?
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine has a molecular weight of 267.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 115147935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).