2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine

C12H17N3O — CID 70352462

IUPAC2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CN=Cc2cccnc2O1
InChIInChI=1S/C12H17N3O/c1-15(2)7-5-11-9-13-8-10-4-3-6-14-12(10)16-11/h3-4,6,8,11H,5,7,9H2,1-2H3
InChIKeyTTYKIUTXGHGQNA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.21
Rot. Bonds3

About 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine

2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine (PubChem CID 70352462) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine
PubChem CID70352462
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CN=Cc2cccnc2O1
InChIInChI=1S/C12H17N3O/c1-15(2)7-5-11-9-13-8-10-4-3-6-14-12(10)16-11/h3-4,6,8,11H,5,7,9H2,1-2H3
InChIKeyTTYKIUTXGHGQNA-UHFFFAOYSA-N
XLogP1.21
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-2,3-dihydropyrido[3,2-h][1,4]benzoxazepine
CID 175710279
but-2-enedioic acid;2-[2-(dimethylamino)ethyl]-4-propan-2-yl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 70352979
4-[2-(dimethylamino)ethyl]-2-methyl-3,4-dihydropyrido[3,2-g][1,4]benzoxazepine-1-thione
CID 21271610
2-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 56869919
2-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90142368
N,N-dimethyl-1-[2-(trimethylsilylmethyl)-3-pyridinyl]methanamine
CID 13058277
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
CID 119032041
2-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione;oxalic acid
CID 21271462
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;methanesulfonic acid
CID 22020969
[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride
CID 118991735
7H-quinoline-8-thione
CID 141013910

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine (CID 70352462) is 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine is CN(C)CCC1CN=Cc2cccnc2O1.
What is the InChIKey of 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine?
The InChIKey is TTYKIUTXGHGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)7-5-11-9-13-8-10-4-3-6-14-12(10)16-11/h3-4,6,8,11H,5,7,9H2,1-2H3.
What are the key properties of 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine?
2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrido[3,2-f][1,4]oxazepin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 70352462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).