N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine

C18H26N2 — CID 115299892

IUPACN-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine
SMILESCNC1CCN(C2C3CCC2Cc2ccccc2C3)C1
InChIInChI=1S/C18H26N2/c1-19-17-8-9-20(12-17)18-15-6-7-16(18)11-14-5-3-2-4-13(14)10-15/h2-5,15-19H,6-12H2,1H3
InChIKeyAFEFSFZKIXGEFD-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.47
Rot. Bonds2

About N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine

N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine (PubChem CID 115299892) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine
PubChem CID115299892
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine
SMILESCNC1CCN(C2C3CCC2Cc2ccccc2C3)C1
InChIInChI=1S/C18H26N2/c1-19-17-8-9-20(12-17)18-15-6-7-16(18)11-14-5-3-2-4-13(14)10-15/h2-5,15-19H,6-12H2,1H3
InChIKeyAFEFSFZKIXGEFD-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine (CID 115299892) is N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine is CNC1CCN(C2C3CCC2Cc2ccccc2C3)C1.
What is the InChIKey of N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine?
The InChIKey is AFEFSFZKIXGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-19-17-8-9-20(12-17)18-15-6-7-16(18)11-14-5-3-2-4-13(14)10-15/h2-5,15-19H,6-12H2,1H3.
What are the key properties of N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine?
N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine has a molecular weight of 270.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine is sourced from PubChem (CID 115299892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).