N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine

C13H20N2 — CID 115205551

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-2-14-8-9-15-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3
InChIKeyISHQIZOAMREMEP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.20
Rot. Bonds5

About N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine

N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine (PubChem CID 115205551) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
PubChem CID115205551
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2/c1-2-14-8-9-15-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3
InChIKeyISHQIZOAMREMEP-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 81095205
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-5-amine
CID 54962038

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine (CID 115205551) is N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine is CCNCCNc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine?
The InChIKey is ISHQIZOAMREMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-8-9-15-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3.
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine?
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115205551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).