N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide

C12H21Br2N3O — CID 67279766

IUPACN-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide
SMILESBr.Br.CCC(C)Nc1ccc2c(n1)OCCNC2
InChIInChI=1S/C12H19N3O.2BrH/c1-3-9(2)14-11-5-4-10-8-13-6-7-16-12(10)15-11;;/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15);2*1H
InChIKeyXILAIYYQPBVOGU-UHFFFAOYSA-N
MW383.13 g/mol
LogP2.93
Rot. Bonds3

About N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide

N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide (PubChem CID 67279766) has the molecular formula C12H21Br2N3O and a molecular weight of 383.13 g/mol. Its IUPAC name is N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide.

Molecular Properties

Compound NameN-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide
PubChem CID67279766
Molecular FormulaC12H21Br2N3O
Molecular Weight383.13 g/mol
Exact Mass381.01
IUPAC NameN-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide
SMILESBr.Br.CCC(C)Nc1ccc2c(n1)OCCNC2
InChIInChI=1S/C12H19N3O.2BrH/c1-3-9(2)14-11-5-4-10-8-13-6-7-16-12(10)15-11;;/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15);2*1H
InChIKeyXILAIYYQPBVOGU-UHFFFAOYSA-N
XLogP2.93
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.13
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide 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

1-(6-Ethoxypyridin-2-yl)piperazine
CID 13795742
2-N-(2-phenoxyethyl)-6-N-[(1S)-1-phenylethyl]pyridine-2,6-diamine
CID 44393057
1-(6-Isobutoxy-2-pyridyl)piperazine
CID 13795744
1-(6-Butoxypyridin-2-Yl)Piperazine
CID 28054514
N,N-dimethyl-2-[(6-piperazin-1-yl-2-pyridinyl)oxy]ethanamine
CID 13795747
N',N'-dimethyl-N-[6-(2-methylpropoxy)-2-pyridinyl]ethane-1,2-diamine
CID 13795751
1-[6-(2-Methylpropoxy)-2-pyridinyl]-1,4-diazepane
CID 13795752
1-(6-Ethoxypyridin-2-yl)piperidin-4-amine dihydrochloride
CID 132353792
1-[6-Propoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10089156
4-Amino-1-[6-(2,2,2-trifluoro)ethoxy-2-pyridyl] piperidine
CID 12760111
N-(2-fluoroethyl)-6-methoxy-3-methylpyridin-2-amine
CID 23572216
7-Fluoro-8-morpholin-4-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697566

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide?
The IUPAC name of N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide (CID 67279766) is N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide.
What is the SMILES notation for N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide?
The canonical SMILES for N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide is Br.Br.CCC(C)Nc1ccc2c(n1)OCCNC2.
What is the InChIKey of N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide?
The InChIKey is XILAIYYQPBVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2BrH/c1-3-9(2)14-11-5-4-10-8-13-6-7-16-12(10)15-11;;/h4-5,9,13H,3,6-8H2,1-2H3,(H,14,15);2*1H.
What are the key properties of N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide?
N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide has a molecular weight of 383.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide is sourced from PubChem (CID 67279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).