(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine

C15H21N — CID 82935712

IUPAC(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine
SMILESCCC(/C=C1/CCc2cc(N)ccc21)CC
InChIInChI=1S/C15H21N/c1-3-11(4-2)9-12-5-6-13-10-14(16)7-8-15(12)13/h7-11H,3-6,16H2,1-2H3/b12-9-
InChIKeyFNKYSRNCLAGNNE-XFXZXTDPSA-N
MW215.34 g/mol
LogP4.03
Rot. Bonds3

About (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine

(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine (PubChem CID 82935712) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine
PubChem CID82935712
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine
SMILESCCC(/C=C1/CCc2cc(N)ccc21)CC
InChIInChI=1S/C15H21N/c1-3-11(4-2)9-12-5-6-13-10-14(16)7-8-15(12)13/h7-11H,3-6,16H2,1-2H3/b12-9-
InChIKeyFNKYSRNCLAGNNE-XFXZXTDPSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine?
The IUPAC name of (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine (CID 82935712) is (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine.
What is the SMILES notation for (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine?
The canonical SMILES for (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine is CCC(/C=C1/CCc2cc(N)ccc21)CC.
What is the InChIKey of (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine?
The InChIKey is FNKYSRNCLAGNNE-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H21N/c1-3-11(4-2)9-12-5-6-13-10-14(16)7-8-15(12)13/h7-11H,3-6,16H2,1-2H3/b12-9-.
What are the key properties of (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine?
(1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine has a molecular weight of 215.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-ethylbutylidene)-2,3-dihydroinden-5-amine is sourced from PubChem (CID 82935712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).