2-(2-aminoethyl)-3H-inden-5-amine;ethane

C13H20N2 — CID 142597028

IUPAC2-(2-aminoethyl)-3H-inden-5-amine;ethane
SMILESCC.NCCC1=Cc2ccc(N)cc2C1
InChIInChI=1S/C11H14N2.C2H6/c12-4-3-8-5-9-1-2-11(13)7-10(9)6-8;1-2/h1-2,5,7H,3-4,6,12-13H2;1-2H3
InChIKeyPHFJXVFPIBXPAG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-aminoethyl)-3H-inden-5-amine;ethane

2-(2-aminoethyl)-3H-inden-5-amine;ethane (PubChem CID 142597028) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3H-inden-5-amine;ethane.

Molecular Properties

Compound Name2-(2-aminoethyl)-3H-inden-5-amine;ethane
PubChem CID142597028
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(2-aminoethyl)-3H-inden-5-amine;ethane
SMILESCC.NCCC1=Cc2ccc(N)cc2C1
InChIInChI=1S/C11H14N2.C2H6/c12-4-3-8-5-9-1-2-11(13)7-10(9)6-8;1-2/h1-2,5,7H,3-4,6,12-13H2;1-2H3
InChIKeyPHFJXVFPIBXPAG-UHFFFAOYSA-N
XLogP2.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3H-inden-5-amine;ethane?
The IUPAC name of 2-(2-aminoethyl)-3H-inden-5-amine;ethane (CID 142597028) is 2-(2-aminoethyl)-3H-inden-5-amine;ethane.
What is the SMILES notation for 2-(2-aminoethyl)-3H-inden-5-amine;ethane?
The canonical SMILES for 2-(2-aminoethyl)-3H-inden-5-amine;ethane is CC.NCCC1=Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(2-aminoethyl)-3H-inden-5-amine;ethane?
The InChIKey is PHFJXVFPIBXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c12-4-3-8-5-9-1-2-11(13)7-10(9)6-8;1-2/h1-2,5,7H,3-4,6,12-13H2;1-2H3.
What are the key properties of 2-(2-aminoethyl)-3H-inden-5-amine;ethane?
2-(2-aminoethyl)-3H-inden-5-amine;ethane has a molecular weight of 204.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3H-inden-5-amine;ethane is sourced from PubChem (CID 142597028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).