ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine

C65H120N4O — CID 159076955

IUPACethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.8C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;8*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8*1-2H3;1H4
InChIKeyKAJHFUSVWFECTA-UHFFFAOYSA-N
MW973.70 g/mol
LogP20.07
Rot. Bonds4

About ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine

ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 159076955) has the molecular formula C65H120N4O and a molecular weight of 973.70 g/mol. Its IUPAC name is ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Nameethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID159076955
Molecular FormulaC65H120N4O
Molecular Weight973.70 g/mol
Exact Mass972.95
IUPAC Nameethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.8C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;8*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8*1-2H3;1H4
InChIKeyKAJHFUSVWFECTA-UHFFFAOYSA-N
XLogP20.07
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.70
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine (CID 159076955) is ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCCc2ccccc21.CC(C)N1CCCOc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.
What is the InChIKey of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is KAJHFUSVWFECTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C11H15N.8C2H6.CH4/c1-11(2)14-10-6-5-8-12-7-3-4-9-13(12)14;1-10(2)13-8-5-9-14-12-7-4-3-6-11(12)13;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;8*1-2;/h3-4,7,9,11H,5-6,8,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9H,7-8H2,1-2H3;8*1-2H3;1H4.
What are the key properties of ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine?
ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 973.70 g/mol, XLogP of 20.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 159076955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).