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

C22H28N2 — CID 10336156

IUPAC1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN(C)C
InChIInChI=1S/C22H28N2/c1-23(2)13-19-20(14-24(3)4)22-17-11-7-5-9-15(17)21(19)16-10-6-8-12-18(16)22/h5-12,19-22H,13-14H2,1-4H3/t19-,20-,21?,22?/m1/s1
InChIKeyNZSIQXBYQXDUKE-JTVPBKEVSA-N
MW320.48 g/mol
LogP3.63
Rot. Bonds4

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

1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine (PubChem CID 10336156) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine
PubChem CID10336156
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN(C)C
InChIInChI=1S/C22H28N2/c1-23(2)13-19-20(14-24(3)4)22-17-11-7-5-9-15(17)21(19)16-10-6-8-12-18(16)22/h5-12,19-22H,13-14H2,1-4H3/t19-,20-,21?,22?/m1/s1
InChIKeyNZSIQXBYQXDUKE-JTVPBKEVSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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
(15R,16S)-15-(bromomethyl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 95564443
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
(3S,4R)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-thiochromen-4-ol
CID 58752433
(3R,4S)-3-[(dimethylamino)methyl]-3,4-dihydro-1H-isochromen-4-ol
CID 58752436
1-[(2R,4S,6R)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine
CID 11197196
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
N,N-dimethyl-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine;hydrochloride
CID 165145885
1-[2-(9H-fluoren-9-yl)phenyl]-N,N-dimethylmethanamine
CID 14710159

Frequently Asked Questions

What is the IUPAC name of 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine (CID 10336156) is 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine is CN(C)C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN(C)C.
What is the InChIKey of 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine?
The InChIKey is NZSIQXBYQXDUKE-JTVPBKEVSA-N. The full InChI is InChI=1S/C22H28N2/c1-23(2)13-19-20(14-24(3)4)22-17-11-7-5-9-15(17)21(19)16-10-6-8-12-18(16)22/h5-12,19-22H,13-14H2,1-4H3/t19-,20-,21?,22?/m1/s1.
What are the key properties of 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine?
1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine has a molecular weight of 320.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(15S,16S)-16-[(dimethylamino)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10336156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).