lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

C13H16LiN — CID 10511981

IUPAClithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=[C-]CN(C)[C@@H]1CCc2ccccc21.[Li+]
InChIInChI=1S/C13H16N.Li/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13;/h4-7,13H,1,8-10H2,2H3;/q-1;+1/t13-;/m1./s1
InChIKeyGTNHDAHDTYWCBP-BTQNPOSSSA-N
MW193.22 g/mol
LogP-0.40
Rot. Bonds3

About lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 10511981) has the molecular formula C13H16LiN and a molecular weight of 193.22 g/mol. Its IUPAC name is lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Namelithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
PubChem CID10511981
Molecular FormulaC13H16LiN
Molecular Weight193.22 g/mol
Exact Mass193.14
IUPAC Namelithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=[C-]CN(C)[C@@H]1CCc2ccccc21.[Li+]
InChIInChI=1S/C13H16N.Li/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13;/h4-7,13H,1,8-10H2,2H3;/q-1;+1/t13-;/m1./s1
InChIKeyGTNHDAHDTYWCBP-BTQNPOSSSA-N
XLogP-0.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.40
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

N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79646356
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183
(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 87326008
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95149953
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 134043154

Frequently Asked Questions

What is the IUPAC name of lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (CID 10511981) is lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is C=[C-]CN(C)[C@@H]1CCc2ccccc21.[Li+].
What is the InChIKey of lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GTNHDAHDTYWCBP-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H16N.Li/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13;/h4-7,13H,1,8-10H2,2H3;/q-1;+1/t13-;/m1./s1.
What are the key properties of lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 193.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10511981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).