3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane

C26H38N2 — CID 156800720

IUPAC3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane
SMILESCCC.CCN1CC2CC2c2ccccc21.CN1CCCCc2ccccc21
InChIInChI=1S/C12H15N.C11H15N.C3H8/c1-2-13-8-9-7-11(9)10-5-3-4-6-12(10)13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-3-2/h3-6,9,11H,2,7-8H2,1H3;2-3,6,8H,4-5,7,9H2,1H3;3H2,1-2H3
InChIKeyGYPDKVLDNXGRLJ-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.51
Rot. Bonds1

About 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane

3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane (PubChem CID 156800720) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane.

Molecular Properties

Compound Name3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane
PubChem CID156800720
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane
SMILESCCC.CCN1CC2CC2c2ccccc21.CN1CCCCc2ccccc21
InChIInChI=1S/C12H15N.C11H15N.C3H8/c1-2-13-8-9-7-11(9)10-5-3-4-6-12(10)13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-3-2/h3-6,9,11H,2,7-8H2,1H3;2-3,6,8H,4-5,7,9H2,1H3;3H2,1-2H3
InChIKeyGYPDKVLDNXGRLJ-UHFFFAOYSA-N
XLogP6.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane with MolForge

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Related Compounds

methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
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CID 3714265
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
CID 122395240
1-ethyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 4252433
N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
CID 106799956
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
2-(1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 115106407
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane?
The IUPAC name of 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane (CID 156800720) is 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane.
What is the SMILES notation for 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane?
The canonical SMILES for 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane is CCC.CCN1CC2CC2c2ccccc21.CN1CCCCc2ccccc21.
What is the InChIKey of 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane?
The InChIKey is GYPDKVLDNXGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H15N.C3H8/c1-2-13-8-9-7-11(9)10-5-3-4-6-12(10)13;1-12-9-5-4-7-10-6-2-3-8-11(10)12;1-3-2/h3-6,9,11H,2,7-8H2,1H3;2-3,6,8H,4-5,7,9H2,1H3;3H2,1-2H3.
What are the key properties of 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane?
3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane has a molecular weight of 378.60 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane is sourced from PubChem (CID 156800720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).