ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine

C22H25N — CID 143817180

IUPACethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine
SMILESCC.CN(C)C1(C)C=Cc2cccc3ccc4cccc1c4c23
InChIInChI=1S/C20H19N.C2H6/c1-20(21(2)3)13-12-16-7-4-6-14-10-11-15-8-5-9-17(20)19(15)18(14)16;1-2/h4-13H,1-3H3;1-2H3
InChIKeyGZELINACMWZULA-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.82
Rot. Bonds1

About ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine

ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine (PubChem CID 143817180) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine.

Molecular Properties

Compound Nameethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine
PubChem CID143817180
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Nameethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine
SMILESCC.CN(C)C1(C)C=Cc2cccc3ccc4cccc1c4c23
InChIInChI=1S/C20H19N.C2H6/c1-20(21(2)3)13-12-16-7-4-6-14-10-11-15-8-5-9-17(20)19(15)18(14)16;1-2/h4-13H,1-3H3;1-2H3
InChIKeyGZELINACMWZULA-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine?
The IUPAC name of ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine (CID 143817180) is ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine.
What is the SMILES notation for ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine?
The canonical SMILES for ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine is CC.CN(C)C1(C)C=Cc2cccc3ccc4cccc1c4c23.
What is the InChIKey of ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine?
The InChIKey is GZELINACMWZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.C2H6/c1-20(21(2)3)13-12-16-7-4-6-14-10-11-15-8-5-9-17(20)19(15)18(14)16;1-2/h4-13H,1-3H3;1-2H3.
What are the key properties of ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine?
ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine has a molecular weight of 303.45 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2-trimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),3,5,7,9(17),10,12(16),13-octaen-2-amine is sourced from PubChem (CID 143817180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).