dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium

C13H18N+ — CID 20656381

IUPACdimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium
SMILESCC1CCC(=[N+](C)C)c2ccccc21
InChIInChI=1S/C13H18N/c1-10-8-9-13(14(2)3)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3/q+1
InChIKeyOFQGOWYVUKCITN-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.65
Rot. Bonds

About dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium

dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium (PubChem CID 20656381) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium
PubChem CID20656381
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Namedimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium
SMILESCC1CCC(=[N+](C)C)c2ccccc21
InChIInChI=1S/C13H18N/c1-10-8-9-13(14(2)3)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3/q+1
InChIKeyOFQGOWYVUKCITN-UHFFFAOYSA-N
XLogP2.65
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-methyl-4-methylidene-2,3-dihydro-1H-naphthalene
CID 13067250
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
1-methyl-5-phenyl-1,2,3,4-tetrahydronaphthalene
CID 91202286
1,4-dimethyl-1,2-dihydronaphthalene
CID 19377181
3-methyl-1,2,3,9-tetrahydrocyclopenta[b]fluorene
CID 123494676
(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 102399730
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 142288787
2-(2,3-dimethylcyclopenten-1-yl)aniline
CID 91477460
9-deuterio-9-methylfluorene
CID 169301704

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium?
The IUPAC name of dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium (CID 20656381) is dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium.
What is the SMILES notation for dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium?
The canonical SMILES for dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium is CC1CCC(=[N+](C)C)c2ccccc21.
What is the InChIKey of dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium?
The InChIKey is OFQGOWYVUKCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N/c1-10-8-9-13(14(2)3)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3/q+1.
What are the key properties of dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium?
dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium has a molecular weight of 188.29 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)azanium is sourced from PubChem (CID 20656381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).