bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

C19H24Br2N2 — CID 91444329

IUPACbromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
SMILESCBr.CC(C)C1CN(C)C2Cc3c(Br)[nH]c4cccc(c34)C=C12
InChIInChI=1S/C18H21BrN2.CH3Br/c1-10(2)14-9-21(3)16-8-13-17-11(7-12(14)16)5-4-6-15(17)20-18(13)19;1-2/h4-7,10,14,16,20H,8-9H2,1-3H3;1H3
InChIKeyPLKWZCCGAVSSMS-UHFFFAOYSA-N
MW440.22 g/mol
LogP5.47
Rot. Bonds1

About bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene

bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene (PubChem CID 91444329) has the molecular formula C19H24Br2N2 and a molecular weight of 440.22 g/mol. Its IUPAC name is bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene.

Molecular Properties

Compound Namebromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
PubChem CID91444329
Molecular FormulaC19H24Br2N2
Molecular Weight440.22 g/mol
Exact Mass438.03
IUPAC Namebromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
SMILESCBr.CC(C)C1CN(C)C2Cc3c(Br)[nH]c4cccc(c34)C=C12
InChIInChI=1S/C18H21BrN2.CH3Br/c1-10(2)14-9-21(3)16-8-13-17-11(7-12(14)16)5-4-6-15(17)20-18(13)19;1-2/h4-7,10,14,16,20H,8-9H2,1-3H3;1H3
InChIKeyPLKWZCCGAVSSMS-UHFFFAOYSA-N
XLogP5.47
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.22
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,7R)-10-bromo-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene
CID 10686947
1-[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylethenamine
CID 167513632
[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
CID 166091744
(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
[(6aR,9R)-5-bromo-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70118962
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl azetidine-1-carboxylate
CID 70591508
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl piperidine-1-carboxylate
CID 70591704
10-bromo-6-methyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;oxalic acid
CID 70546403
[[(6aS,10aS)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-methylpiperazin-1-yl)methyl] formate
CID 88784199
(6aR,9S,10aR)-9-[(3-benzhydryloxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 70118006
(6aR,9R)-5-bromo-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 142759981
bis([(6aR,9R)-5-bromo-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-[(2S,4S)-2,4-dimethylazetidin-1-yl]methanone);2,3-dihydroxybutanedioic acid
CID 175881778

Frequently Asked Questions

What is the IUPAC name of bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The IUPAC name of bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene (CID 91444329) is bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene.
What is the SMILES notation for bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The canonical SMILES for bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene is CBr.CC(C)C1CN(C)C2Cc3c(Br)[nH]c4cccc(c34)C=C12.
What is the InChIKey of bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
The InChIKey is PLKWZCCGAVSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2.CH3Br/c1-10(2)14-9-21(3)16-8-13-17-11(7-12(14)16)5-4-6-15(17)20-18(13)19;1-2/h4-7,10,14,16,20H,8-9H2,1-3H3;1H3.
What are the key properties of bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene?
bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene has a molecular weight of 440.22 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;10-bromo-6-methyl-4-propan-2-yl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaene is sourced from PubChem (CID 91444329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).