16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine

C16H19ClN2 — CID 165410301

IUPAC16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine
SMILESCN.Clc1cccc2c1CCc1ncccc1CC2
InChIInChI=1S/C15H14ClN.CH5N/c16-14-5-1-3-11-6-7-12-4-2-10-17-15(12)9-8-13(11)14;1-2/h1-5,10H,6-9H2;2H2,1H3
InChIKeyACCCJWKMVCLJIQ-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.19
Rot. Bonds

About 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine

16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine (PubChem CID 165410301) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine.

Molecular Properties

Compound Name16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine
PubChem CID165410301
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine
SMILESCN.Clc1cccc2c1CCc1ncccc1CC2
InChIInChI=1S/C15H14ClN.CH5N/c16-14-5-1-3-11-6-7-12-4-2-10-17-15(12)9-8-13(11)14;1-2/h1-5,10H,6-9H2;2H2,1H3
InChIKeyACCCJWKMVCLJIQ-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine with MolForge

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Related Compounds

12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
azane;phosphane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 175101128
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189
7,8-dihydro-5H-quinolin-6-imine
CID 123589066
5,6-dihydro-1,7-phenanthroline
CID 69016308
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
CID 75374187
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
CID 123242170
4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 12733822
6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720667
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane
CID 144688584
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071

Frequently Asked Questions

What is the IUPAC name of 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine?
The IUPAC name of 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine (CID 165410301) is 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine.
What is the SMILES notation for 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine?
The canonical SMILES for 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine is CN.Clc1cccc2c1CCc1ncccc1CC2.
What is the InChIKey of 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine?
The InChIKey is ACCCJWKMVCLJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN.CH5N/c16-14-5-1-3-11-6-7-12-4-2-10-17-15(12)9-8-13(11)14;1-2/h1-5,10H,6-9H2;2H2,1H3.
What are the key properties of 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine?
16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine has a molecular weight of 274.80 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine is sourced from PubChem (CID 165410301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).