N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H20N2 — CID 80707817

IUPACN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(CNC2CCc3ccccc3C2)nc1
InChIInChI=1S/C17H20N2/c1-13-6-8-17(18-11-13)12-19-16-9-7-14-4-2-3-5-15(14)10-16/h2-6,8,11,16,19H,7,9-10,12H2,1H3
InChIKeyWKELSLGXJGESAE-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.04
Rot. Bonds3

About N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 80707817) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID80707817
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(CNC2CCc3ccccc3C2)nc1
InChIInChI=1S/C17H20N2/c1-13-6-8-17(18-11-13)12-19-16-9-7-14-4-2-3-5-15(14)10-16/h2-6,8,11,16,19H,7,9-10,12H2,1H3
InChIKeyWKELSLGXJGESAE-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 80707817) is N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(CNC2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WKELSLGXJGESAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-6-8-17(18-11-13)12-19-16-9-7-14-4-2-3-5-15(14)10-16/h2-6,8,11,16,19H,7,9-10,12H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 252.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 80707817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).