N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine

C17H21N3O — CID 67938299

IUPACN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1Oc2ccccc2Cc2cccnc21
InChIInChI=1S/C17H21N3O/c1-20(2)11-10-19-17-16-14(7-5-9-18-16)12-13-6-3-4-8-15(13)21-17/h3-9,17,19H,10-12H2,1-2H3
InChIKeyCMBOZCBYDBXPBA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds4

About N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine

N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 67938299) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID67938299
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1Oc2ccccc2Cc2cccnc21
InChIInChI=1S/C17H21N3O/c1-20(2)11-10-19-17-16-14(7-5-9-18-16)12-13-6-3-4-8-15(13)21-17/h3-9,17,19H,10-12H2,1-2H3
InChIKeyCMBOZCBYDBXPBA-UHFFFAOYSA-N
XLogP2.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)acetamide;N-ethylethanamine
CID 67938282
bis(N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-dimethylethane-1,2-diamine);hydrate;hexahydrochloride
CID 24837897
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
7-methoxy-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-amine
CID 70423187
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244815
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-[1-(9H-fluoren-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776550
(E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine
CID 6448356
3-[2-(dimethylamino)ethylamino]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
CID 160788965
1-N,1-N-dimethyl-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,2-diamine
CID 82944895
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479

Frequently Asked Questions

What is the IUPAC name of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine (CID 67938299) is N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1Oc2ccccc2Cc2cccnc21.
What is the InChIKey of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CMBOZCBYDBXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)11-10-19-17-16-14(7-5-9-18-16)12-13-6-3-4-8-15(13)21-17/h3-9,17,19H,10-12H2,1-2H3.
What are the key properties of N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine?
N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-5-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 67938299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).