9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

C19H29NO — CID 171608240

IUPAC9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(C)CN1CCOc2c(cc(C(C)C)cc2C2CC2)C1
InChIInChI=1S/C19H29NO/c1-13(2)11-20-7-8-21-19-17(12-20)9-16(14(3)4)10-18(19)15-5-6-15/h9-10,13-15H,5-8,11-12H2,1-4H3
InChIKeyZOGBUBIXVNRQFW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.54
Rot. Bonds4

About 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 171608240) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID171608240
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC(C)CN1CCOc2c(cc(C(C)C)cc2C2CC2)C1
InChIInChI=1S/C19H29NO/c1-13(2)11-20-7-8-21-19-17(12-20)9-16(14(3)4)10-18(19)15-5-6-15/h9-10,13-15H,5-8,11-12H2,1-4H3
InChIKeyZOGBUBIXVNRQFW-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 171608221
5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 166553077
1,9-dicyclohexyl-11-hydroxy-3,7-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 153431509
O-[1,9-dicyclohexyl-11-oxo-3,7-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]hydroxylamine
CID 163779587
(2S,3S)-2-phenyl-3-[(5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-1-amine
CID 67585248
(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine
CID 58597284
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206
1-[9-methoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-2-ol
CID 56709027
(2R)-2-[4-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxypropan-2-ol
CID 42162841
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
3-cyclopropyl-2-methyl-5-propan-2-ylpyridine
CID 142320143

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine (CID 171608240) is 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine is CC(C)CN1CCOc2c(cc(C(C)C)cc2C2CC2)C1.
What is the InChIKey of 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is ZOGBUBIXVNRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)11-20-7-8-21-19-17(12-20)9-16(14(3)4)10-18(19)15-5-6-15/h9-10,13-15H,5-8,11-12H2,1-4H3.
What are the key properties of 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine?
9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 287.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 171608240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).