2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

C16H26N2 — CID 106892891

IUPAC2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-4-18(3)12-13(2)17-11-14-9-15-7-5-6-8-16(15)10-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyWQQFOHADBXCTJM-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.33
Rot. Bonds6

About 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 106892891) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID106892891
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-4-18(3)12-13(2)17-11-14-9-15-7-5-6-8-16(15)10-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyWQQFOHADBXCTJM-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
CID 106892854
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114135098
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 66416967
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109683
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 103109677
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 106892891) is 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCC1Cc2ccccc2C1.
What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is WQQFOHADBXCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(3)12-13(2)17-11-14-9-15-7-5-6-8-16(15)10-14/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 106892891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).