N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride

C15H24Cl2N2 — CID 3063684

IUPACN-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride
SMILESCCN(C)c1cc2c3c(c1)CCCN3CCC2.Cl.Cl
InChIInChI=1S/C15H22N2.2ClH/c1-3-16(2)14-10-12-6-4-8-17-9-5-7-13(11-14)15(12)17;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKeyMKDIWULKKHXFAT-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.69
Rot. Bonds2

About N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride

N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride (PubChem CID 3063684) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride
PubChem CID3063684
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC NameN-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride
SMILESCCN(C)c1cc2c3c(c1)CCCN3CCC2.Cl.Cl
InChIInChI=1S/C15H22N2.2ClH/c1-3-16(2)14-10-12-6-4-8-17-9-5-7-13(11-14)15(12)17;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKeyMKDIWULKKHXFAT-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride?
The IUPAC name of N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride (CID 3063684) is N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride.
What is the SMILES notation for N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride?
The canonical SMILES for N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride is CCN(C)c1cc2c3c(c1)CCCN3CCC2.Cl.Cl.
What is the InChIKey of N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride?
The InChIKey is MKDIWULKKHXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.2ClH/c1-3-16(2)14-10-12-6-4-8-17-9-5-7-13(11-14)15(12)17;;/h10-11H,3-9H2,1-2H3;2*1H.
What are the key properties of N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride?
N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;dihydrochloride is sourced from PubChem (CID 3063684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).