N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine

C20H24N2 — CID 11044549

IUPACN-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine
SMILESCNC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CNC
InChIInChI=1S/C20H24N2/c1-21-11-17-18(12-22-2)20-15-9-5-3-7-13(15)19(17)14-8-4-6-10-16(14)20/h3-10,17-22H,11-12H2,1-2H3/t17-,18-,19?,20?/m1/s1
InChIKeyYEFDAVPFIOCQOE-UVHRUJRTSA-N
MW292.43 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine

N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine (PubChem CID 11044549) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine
PubChem CID11044549
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine
SMILESCNC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CNC
InChIInChI=1S/C20H24N2/c1-21-11-17-18(12-22-2)20-15-9-5-3-7-13(15)19(17)14-8-4-6-10-16(14)20/h3-10,17-22H,11-12H2,1-2H3/t17-,18-,19?,20?/m1/s1
InChIKeyYEFDAVPFIOCQOE-UVHRUJRTSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine?
The IUPAC name of N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine (CID 11044549) is N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine.
What is the SMILES notation for N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine?
The canonical SMILES for N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine is CNC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CNC.
What is the InChIKey of N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine?
The InChIKey is YEFDAVPFIOCQOE-UVHRUJRTSA-N. The full InChI is InChI=1S/C20H24N2/c1-21-11-17-18(12-22-2)20-15-9-5-3-7-13(15)19(17)14-8-4-6-10-16(14)20/h3-10,17-22H,11-12H2,1-2H3/t17-,18-,19?,20?/m1/s1.
What are the key properties of N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine?
N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(15S,16S)-16-(methylaminomethyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanamine is sourced from PubChem (CID 11044549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).