N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine

C18H22N2 — CID 106511136

IUPACN'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCc2ccccc21
InChIInChI=1S/C18H22N2/c19-12-13-20(14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14,19H2
InChIKeyKTTXHHHMXHXNRF-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.13
Rot. Bonds5

About N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine

N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine (PubChem CID 106511136) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
PubChem CID106511136
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCc2ccccc21
InChIInChI=1S/C18H22N2/c19-12-13-20(14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14,19H2
InChIKeyKTTXHHHMXHXNRF-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
CID 130554815
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78900493
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
CID 95627737
N'-methyl-N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethane-1,2-diamine
CID 23791959
N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 106511543
1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742169
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
N'-benzyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
CID 169111215

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine (CID 106511136) is N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine is NCCN(Cc1ccccc1)C1CCc2ccccc21.
What is the InChIKey of N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine?
The InChIKey is KTTXHHHMXHXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-12-13-20(14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14,19H2.
What are the key properties of N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine?
N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 106511136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).