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

C17H20N2 — CID 80708052

IUPACN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(CNC2CCCc3ccccc32)nc1
InChIInChI=1S/C17H20N2/c1-13-9-10-15(18-11-13)12-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-11,17,19H,4,6,8,12H2,1H3
InChIKeyWZHSHFFRUAJGON-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.56
Rot. Bonds3

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

N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 80708052) 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-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID80708052
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(CNC2CCCc3ccccc32)nc1
InChIInChI=1S/C17H20N2/c1-13-9-10-15(18-11-13)12-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-11,17,19H,4,6,8,12H2,1H3
InChIKeyWZHSHFFRUAJGON-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81312736
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86913987
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80707817
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63279810
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 80708052) is N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(CNC2CCCc3ccccc32)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WZHSHFFRUAJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-9-10-15(18-11-13)12-19-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-11,17,19H,4,6,8,12H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.56, 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-1-amine is sourced from PubChem (CID 80708052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).