N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride

C13H22ClN3O — CID 67280017

IUPACN-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride
SMILESCCCN(CC)c1ccc2c(n1)OCCNC2.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-3-8-16(4-2)12-6-5-11-10-14-7-9-17-13(11)15-12;/h5-6,14H,3-4,7-10H2,1-2H3;1H
InChIKeyPSSVXJHBOSRXMS-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride

N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride (PubChem CID 67280017) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride
PubChem CID67280017
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride
SMILESCCCN(CC)c1ccc2c(n1)OCCNC2.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-3-8-16(4-2)12-6-5-11-10-14-7-9-17-13(11)15-12;/h5-6,14H,3-4,7-10H2,1-2H3;1H
InChIKeyPSSVXJHBOSRXMS-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride with MolForge

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Related Compounds

1-(6-Ethoxypyridin-2-yl)piperazine
CID 13795742
1-[6-(Propan-2-yloxy)pyridin-2-yl]piperazine
CID 13795743
1-(6-Isobutoxy-2-pyridyl)piperazine
CID 13795744
1-[6-(Cyclopropylmethoxy)pyridin-2-yl]piperazine
CID 13795745
1-(6-Butoxypyridin-2-Yl)Piperazine
CID 28054514
N,N-dimethyl-2-[(6-piperazin-1-yl-2-pyridinyl)oxy]ethanamine
CID 13795747
2-(2-Methylpropoxy)-6-piperidin-1-ylpyridine
CID 13795749
4-[6-(2-Methylpropoxy)-2-pyridinyl]morpholine
CID 13795750
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-[2-(Dimethylamino)ethyl]-3-(6-ethoxy-2-pyridinyl)urea
CID 75485063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride?
The IUPAC name of N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride (CID 67280017) is N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride.
What is the SMILES notation for N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride?
The canonical SMILES for N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride is CCCN(CC)c1ccc2c(n1)OCCNC2.Cl.
What is the InChIKey of N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride?
The InChIKey is PSSVXJHBOSRXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c1-3-8-16(4-2)12-6-5-11-10-14-7-9-17-13(11)15-12;/h5-6,14H,3-4,7-10H2,1-2H3;1H.
What are the key properties of N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride?
N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride is sourced from PubChem (CID 67280017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).