N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C18H22N2 — CID 63771252

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCc1cccnc1CNCC1CCCc2ccccc21
InChIInChI=1S/C18H22N2/c1-14-6-5-11-20-18(14)13-19-12-16-9-4-8-15-7-2-3-10-17(15)16/h2-3,5-7,10-11,16,19H,4,8-9,12-13H2,1H3
InChIKeyQDTJLQUSFDPKOE-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.60
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 63771252) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID63771252
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCc1cccnc1CNCC1CCCc2ccccc21
InChIInChI=1S/C18H22N2/c1-14-6-5-11-20-18(14)13-19-12-16-9-4-8-15-7-2-3-10-17(15)16/h2-3,5-7,10-11,16,19H,4,8-9,12-13H2,1H3
InChIKeyQDTJLQUSFDPKOE-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 63771252) is N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is Cc1cccnc1CNCC1CCCc2ccccc21.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is QDTJLQUSFDPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-6-5-11-20-18(14)13-19-12-16-9-4-8-15-7-2-3-10-17(15)16/h2-3,5-7,10-11,16,19H,4,8-9,12-13H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 63771252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).