(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

C23H38N2 — CID 11772257

IUPAC(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54CC[C@@H]32)C1
InChIInChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1
InChIKeyUBWOPONWVXRTKE-ALCLCTQTSA-N
MW342.57 g/mol
LogP4.47
Rot. Bonds1

About (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (PubChem CID 11772257) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.

Molecular Properties

Compound Name(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
PubChem CID11772257
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
SMILESCN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54CC[C@@H]32)C1
InChIInChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1
InChIKeyUBWOPONWVXRTKE-ALCLCTQTSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine with MolForge

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Related Compounds

Conessine
CID 441082
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 10668589
dimethyl({methyl[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-yl]sulfamoyl})amine
CID 25053486
3beta-(Dimethylamino)con-5-ene
CID 2860
Kurchessine
CID 442979
Conessine Hydrobromide
CID 111109
(3S,8R,9S,10S,13S,14S,17Z)-N-ethyl-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-amine
CID 134156035
(4R,5R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-1-(1-methyl-3-propan-2-ylpyrrolidin-2-yl)propan-2-yl]-4,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-4-amine
CID 11293552
Plakinamine N
CID 101889800
Conessimine
CID 12303831
(3beta,20S)-Pregn-5-ene-3,20-diamine
CID 92198
Kurchine
CID 551434

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The IUPAC name of (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine (CID 11772257) is (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine.
What is the SMILES notation for (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The canonical SMILES for (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54CC[C@@H]32)C1.
What is the InChIKey of (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
The InChIKey is UBWOPONWVXRTKE-ALCLCTQTSA-N. The full InChI is InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1.
What are the key properties of (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine?
(1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine has a molecular weight of 342.57 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine is sourced from PubChem (CID 11772257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).