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

C15H24N2 — CID 114135098

IUPACN-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC1Cc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-3-17(2)9-8-16-12-13-10-14-6-4-5-7-15(14)11-13/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyASDDGODONZKRQR-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.94
Rot. Bonds6

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

N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 114135098) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID114135098
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC1Cc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-3-17(2)9-8-16-12-13-10-14-6-4-5-7-15(14)11-13/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyASDDGODONZKRQR-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
N-(2,3-dihydro-1H-inden-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 106892883
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
CID 106892854
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 66419100
(1R)-2-[2-(ethylamino)ethyl-methylamino]-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanol
CID 166927191
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
N-cyclopropyl-N'-methyl-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126634

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 114135098) is N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNCC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is ASDDGODONZKRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(2)9-8-16-12-13-10-14-6-4-5-7-15(14)11-13/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114135098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).