N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine

C20H24N2 — CID 3052641

IUPACN-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine
SMILESCNC1CCN(C2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C20H24N2/c1-21-17-12-13-22(14-17)20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20-21H,10-14H2,1H3
InChIKeyVQMOEFZWXQNKTP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.17
Rot. Bonds2

About N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine

N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine (PubChem CID 3052641) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine
PubChem CID3052641
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine
SMILESCNC1CCN(C2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C20H24N2/c1-21-17-12-13-22(14-17)20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20-21H,10-14H2,1H3
InChIKeyVQMOEFZWXQNKTP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine (CID 3052641) is N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine is CNC1CCN(C2c3ccccc3CCc3ccccc32)C1.
What is the InChIKey of N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine?
The InChIKey is VQMOEFZWXQNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-21-17-12-13-22(14-17)20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20-21H,10-14H2,1H3.
What are the key properties of N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine?
N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)pyrrolidin-3-amine is sourced from PubChem (CID 3052641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).