lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine

C13H14LiN — CID 177470513

IUPAClithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
SMILESCN(C)Cc1[c-]cc2ccccc2c1.[Li+]
InChIInChI=1S/C13H14N.Li/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-6,8-9H,10H2,1-2H3;/q-1;+1
InChIKeyOMPIUYBIJZVTBQ-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.29
Rot. Bonds2

About lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine

lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine (PubChem CID 177470513) has the molecular formula C13H14LiN and a molecular weight of 191.20 g/mol. Its IUPAC name is lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine.

Molecular Properties

Compound Namelithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
PubChem CID177470513
Molecular FormulaC13H14LiN
Molecular Weight191.20 g/mol
Exact Mass191.13
IUPAC Namelithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine
SMILESCN(C)Cc1[c-]cc2ccccc2c1.[Li+]
InChIInChI=1S/C13H14N.Li/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-6,8-9H,10H2,1-2H3;/q-1;+1
InChIKeyOMPIUYBIJZVTBQ-UHFFFAOYSA-N
XLogP-0.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 15863483
CID 15863483
ethane;3-methyl-2H-naphthalen-2-ide;rhenium
CID 169166845
chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
CID 54682191
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79076954
lithium anthracene
CID 22662646
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
CID 54725612
tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
CID 6397520
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 56720297

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine?
The IUPAC name of lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine (CID 177470513) is lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine.
What is the SMILES notation for lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine?
The canonical SMILES for lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine is CN(C)Cc1[c-]cc2ccccc2c1.[Li+].
What is the InChIKey of lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine?
The InChIKey is OMPIUYBIJZVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N.Li/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-6,8-9H,10H2,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine?
lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine has a molecular weight of 191.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethyl-1-(3H-naphthalen-3-id-2-yl)methanamine is sourced from PubChem (CID 177470513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).