4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine

C18H22N2 — CID 43147420

IUPAC4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccncc2)c2ccccc21
InChIInChI=1S/C18H22N2/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)20-13-14-8-11-19-12-9-14/h3-6,8-9,11-12,17,20H,7,10,13H2,1-2H3
InChIKeyXIYXYVPXHYXGIM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.98
Rot. Bonds3

About 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 43147420) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID43147420
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccncc2)c2ccccc21
InChIInChI=1S/C18H22N2/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)20-13-14-8-11-19-12-9-14/h3-6,8-9,11-12,17,20H,7,10,13H2,1-2H3
InChIKeyXIYXYVPXHYXGIM-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine (CID 43147420) is 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCc2ccncc2)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is XIYXYVPXHYXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)20-13-14-8-11-19-12-9-14/h3-6,8-9,11-12,17,20H,7,10,13H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 43147420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).