4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C19H28N2O — CID 71202950

IUPAC4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCC1(CN2CCOc3cc4c(c(C)c32)CCNCC4)CC1
InChIInChI=1S/C19H28N2O/c1-3-19(6-7-19)13-21-10-11-22-17-12-15-4-8-20-9-5-16(15)14(2)18(17)21/h12,20H,3-11,13H2,1-2H3
InChIKeyMVKBVTXVBMZWRN-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.07
Rot. Bonds3

About 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 71202950) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID71202950
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCC1(CN2CCOc3cc4c(c(C)c32)CCNCC4)CC1
InChIInChI=1S/C19H28N2O/c1-3-19(6-7-19)13-21-10-11-22-17-12-15-4-8-20-9-5-16(15)14(2)18(17)21/h12,20H,3-11,13H2,1-2H3
InChIKeyMVKBVTXVBMZWRN-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one
CID 118711272
5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625342
2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71453917
3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71457427
6-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71461064
8-Methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
CID 16789499
NK36K7QB8G
CID 11430408
3-[4-Propan-2-yloxy-2-(trifluoromethyl)phenyl]-6-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4-triene
CID 22736091
5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379747
5-cyclopropyl-4-[(2-fluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379752
5-cyclopropyl-4-[(2S)-3-fluoro-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379753
5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379846

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 71202950) is 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is CCC1(CN2CCOc3cc4c(c(C)c32)CCNCC4)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is MVKBVTXVBMZWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-19(6-7-19)13-21-10-11-22-17-12-15-4-8-20-9-5-16(15)14(2)18(17)21/h12,20H,3-11,13H2,1-2H3.
What are the key properties of 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 300.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methyl]-5-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 71202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).