N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine

C18H17N2+ — CID 172528418

IUPACN-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine
SMILESC=Nc1cc[n+](C)c(-c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C18H17N2/c1-13-8-9-14-6-4-5-7-16(14)18(13)17-12-15(19-2)10-11-20(17)3/h4-12H,2H2,1,3H3/q+1
InChIKeyXBVNJVABOPZUJI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.97
Rot. Bonds2

About N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine

N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine (PubChem CID 172528418) has the molecular formula C18H17N2+ and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine.

Molecular Properties

Compound NameN-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine
PubChem CID172528418
Molecular FormulaC18H17N2+
Molecular Weight261.35 g/mol
Exact Mass261.14
IUPAC NameN-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine
SMILESC=Nc1cc[n+](C)c(-c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C18H17N2/c1-13-8-9-14-6-4-5-7-16(14)18(13)17-12-15(19-2)10-11-20(17)3/h4-12H,2H2,1,3H3/q+1
InChIKeyXBVNJVABOPZUJI-UHFFFAOYSA-N
XLogP3.97
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
CID 59575248
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,4-dimethyl-6-(3-methylphenanthren-4-yl)pyrimidin-1-ium
CID 147766854
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-methylphenyl)pyridin-1-ium
CID 157188990
4-(2,2-dimethylpropyl)-1-methyl-2-(6-methyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)pyridin-1-ium
CID 167357663
1,4-dimethyl-2-(7-methyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)pyridin-1-ium
CID 159882265
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
CID 172528370
3-methyl-5-(2-methylnaphthalen-1-yl)pyridin-2-amine
CID 83170171
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine?
The IUPAC name of N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine (CID 172528418) is N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine.
What is the SMILES notation for N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine?
The canonical SMILES for N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine is C=Nc1cc[n+](C)c(-c2c(C)ccc3ccccc23)c1.
What is the InChIKey of N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine?
The InChIKey is XBVNJVABOPZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2/c1-13-8-9-14-6-4-5-7-16(14)18(13)17-12-15(19-2)10-11-20(17)3/h4-12H,2H2,1,3H3/q+1.
What are the key properties of N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine?
N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine has a molecular weight of 261.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium-4-yl]methanimine is sourced from PubChem (CID 172528418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).