ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C16H25N — CID 145387694

IUPACethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESC=C.CC.Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C12H15N.C2H6.C2H4/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12;2*1-2/h7H,1-6,13H2;1-2H3;1-2H2
InChIKeyLIUZFDUUNBPKAB-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.07
Rot. Bonds

About ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine

ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 145387694) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Nameethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID145387694
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESC=C.CC.Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C12H15N.C2H6.C2H4/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12;2*1-2/h7H,1-6,13H2;1-2H3;1-2H2
InChIKeyLIUZFDUUNBPKAB-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
CID 142522585
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
CID 89263327
CID 89263327
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
4-propyl-1,2,3,5,6,7-hexahydro-s-indacene
CID 142529485
8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 122480741

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 145387694) is ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine is C=C.CC.Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is LIUZFDUUNBPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6.C2H4/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12;2*1-2/h7H,1-6,13H2;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 231.38 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 145387694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).