ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine

C14H24N2 — CID 143857751

IUPACethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
SMILESCC.CN1CCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C12H18N2.C2H6/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12;1-2/h4,6,9H,5,7-8H2,1-3H3;1-2H3
InChIKeyKPHYBOVOZPUYAM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.27
Rot. Bonds

About ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine

ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine (PubChem CID 143857751) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine.

Molecular Properties

Compound Nameethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
PubChem CID143857751
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
SMILESCC.CN1CCC2=C(C=CC(C)(C)C=N2)C1
InChIInChI=1S/C12H18N2.C2H6/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12;1-2/h4,6,9H,5,7-8H2,1-3H3;1-2H3
InChIKeyKPHYBOVOZPUYAM-UHFFFAOYSA-N
XLogP3.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The IUPAC name of ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine (CID 143857751) is ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine.
What is the SMILES notation for ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The canonical SMILES for ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine is CC.CN1CCC2=C(C=CC(C)(C)C=N2)C1.
What is the InChIKey of ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
The InChIKey is KPHYBOVOZPUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-12(2)6-4-10-8-14(3)7-5-11(10)13-9-12;1-2/h4,6,9H,5,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine?
ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine has a molecular weight of 220.36 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine is sourced from PubChem (CID 143857751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).