lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine

C12H19LiN2 — CID 15822463

IUPAClithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C12H19N2.Li/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12;/h4-7H,9-11H2,1-3H3;/q-1;+1
InChIKeyBESBNQFZKNCCNN-UHFFFAOYSA-N
MW198.24 g/mol
LogP-1.52
Rot. Bonds5

About lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine

lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine (PubChem CID 15822463) has the molecular formula C12H19LiN2 and a molecular weight of 198.24 g/mol. Its IUPAC name is lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Namelithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine
PubChem CID15822463
Molecular FormulaC12H19LiN2
Molecular Weight198.24 g/mol
Exact Mass198.17
IUPAC Namelithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C12H19N2.Li/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12;/h4-7H,9-11H2,1-3H3;/q-1;+1
InChIKeyBESBNQFZKNCCNN-UHFFFAOYSA-N
XLogP-1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
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
N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 990837
bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
CID 146001766
bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
CID 146001765
lithium N'-[[2-(dimethylamino)ethyl-methylamino]-phenyl-phenylsilyl]-N,N,N'-trimethylethane-1,2-diamine
CID 135049431
phenylmethylbenzene;tungsten(2+)
CID 23570247
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693
bis(2,3,4,5,6-pentadeuteriophenyl)-[[3-[3-[[(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphaniumyl]methyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]methyl]phosphanium;[[3-[3-[bis(2,3,4,5,6-pentadeuteriophenyl)phosphaniumyl-dideuteriomethyl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-dideuteriomethyl]-(2,3,4,5,6-pentadeuteriophenyl)-(2,3,4,5-tetradeuteriophenyl)phosphanium;N,N'-dimethyl-N,N'-bis(phenylmethyl)ethane-1,2-diamine;N,N'-dimethyl-N,N'-bis(phenylmethyl)propane-1,3-diamine;bis(platinum(2+));bis(platinum(4+))
CID 158683244
N'-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725127

Frequently Asked Questions

What is the IUPAC name of lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine?
The IUPAC name of lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine (CID 15822463) is lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine.
What is the SMILES notation for lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine?
The canonical SMILES for lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine is CN(C)CCN(C)Cc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine?
The InChIKey is BESBNQFZKNCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2.Li/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12;/h4-7H,9-11H2,1-3H3;/q-1;+1.
What are the key properties of lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine?
lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine has a molecular weight of 198.24 g/mol, XLogP of -1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 15822463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).