3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine

C14H23N3 — CID 113365197

IUPAC3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESCN(C)CCN(C)C1CC(N)c2ccccc21
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)14-10-13(15)11-6-4-5-7-12(11)14/h4-7,13-14H,8-10,15H2,1-3H3
InChIKeyPVZMHLPHZULSRZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.62
Rot. Bonds4

About 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine

3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 113365197) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID113365197
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine
SMILESCN(C)CCN(C)C1CC(N)c2ccccc21
InChIInChI=1S/C14H23N3/c1-16(2)8-9-17(3)14-10-13(15)11-6-4-5-7-12(11)14/h4-7,13-14H,8-10,15H2,1-3H3
InChIKeyPVZMHLPHZULSRZ-UHFFFAOYSA-N
XLogP1.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rasagiline
CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
N-Methylindan-2-amine
CID 15023225
(R)-N-methyl-N-2-propynyl-1-indanamine
CID 5289295
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
(+-)-1-Aminoindan
CID 123445
1-(9H-Fluoren-9-yl)piperazine
CID 410205
N-Methyl-1(R)-aminoindan
CID 5494442
[18F]fluororasagiline
CID 57328315

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine (CID 113365197) is 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine is CN(C)CCN(C)C1CC(N)c2ccccc21.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is PVZMHLPHZULSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)8-9-17(3)14-10-13(15)11-6-4-5-7-12(11)14/h4-7,13-14H,8-10,15H2,1-3H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 113365197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).