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

C17H23N — CID 134081383

IUPAC(1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine
SMILESCCC1CCCC/C1=C1\CCc2cc(N)ccc21
InChIInChI=1S/C17H23N/c1-2-12-5-3-4-6-15(12)17-9-7-13-11-14(18)8-10-16(13)17/h8,10-12H,2-7,9,18H2,1H3/b17-15-
InChIKeyMWTGITXAGYYHNL-ICFOKQHNSA-N
MW241.38 g/mol
LogP4.57
Rot. Bonds1

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

(1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine (PubChem CID 134081383) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name(1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine
PubChem CID134081383
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine
SMILESCCC1CCCC/C1=C1\CCc2cc(N)ccc21
InChIInChI=1S/C17H23N/c1-2-12-5-3-4-6-15(12)17-9-7-13-11-14(18)8-10-16(13)17/h8,10-12H,2-7,9,18H2,1H3/b17-15-
InChIKeyMWTGITXAGYYHNL-ICFOKQHNSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.57
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-ethylcyclohexylidene)-2,3-dihydroinden-5-amine?
The IUPAC name of (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine (CID 134081383) is (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine.
What is the SMILES notation for (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine?
The canonical SMILES for (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine is CCC1CCCC/C1=C1\CCc2cc(N)ccc21.
What is the InChIKey of (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine?
The InChIKey is MWTGITXAGYYHNL-ICFOKQHNSA-N. The full InChI is InChI=1S/C17H23N/c1-2-12-5-3-4-6-15(12)17-9-7-13-11-14(18)8-10-16(13)17/h8,10-12H,2-7,9,18H2,1H3/b17-15-.
What are the key properties of (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine?
(1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine has a molecular weight of 241.38 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-ethylcyclohexylidene)-2,3-dihydroinden-5-amine is sourced from PubChem (CID 134081383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).