(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

C11H15N — CID 67140611

IUPAC(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)[C@H](N)[C@@H](C)C2
InChIInChI=1S/C11H15N/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11H,6,12H2,1-2H3/t8-,11+/m0/s1
InChIKeyNMRCYNVWDPJOAC-GZMMTYOYSA-N
MW161.25 g/mol
LogP2.19
Rot. Bonds

About (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine

(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 67140611) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID67140611
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)[C@H](N)[C@@H](C)C2
InChIInChI=1S/C11H15N/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11H,6,12H2,1-2H3/t8-,11+/m0/s1
InChIKeyNMRCYNVWDPJOAC-GZMMTYOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 67140611) is (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)[C@H](N)[C@@H](C)C2.
What is the InChIKey of (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NMRCYNVWDPJOAC-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H15N/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11H,6,12H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine?
(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 67140611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).