(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine

C11H16N2 — CID 58717461

IUPAC(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCN(C)[C@@H]1c2ccccc2C[C@H]1N
InChIInChI=1S/C11H16N2/c1-13(2)11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyWPMNAJHIAGVKSZ-GHMZBOCLSA-N
MW176.26 g/mol
LogP1.17
Rot. Bonds1

About (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine

(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 58717461) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID58717461
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
SMILESCN(C)[C@@H]1c2ccccc2C[C@H]1N
InChIInChI=1S/C11H16N2/c1-13(2)11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyWPMNAJHIAGVKSZ-GHMZBOCLSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-ethyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130469930
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R)-1-propyl-2,3-dihydro-1H-inden-2-amine
CID 143271430
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine (CID 58717461) is (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine is CN(C)[C@@H]1c2ccccc2C[C@H]1N.
What is the InChIKey of (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is WPMNAJHIAGVKSZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,7,12H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine?
(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 58717461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).