3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane

C13H22N2 — CID 143533126

IUPAC3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane
SMILESCC.CC1(C)C=CC2=C(CCNC2)N=C1
InChIInChI=1S/C11H16N2.C2H6/c1-11(2)5-3-9-7-12-6-4-10(9)13-8-11;1-2/h3,5,8,12H,4,6-7H2,1-2H3;1-2H3
InChIKeyHSAIDDHXHCLWJZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds

About 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane

3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane (PubChem CID 143533126) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane.

Molecular Properties

Compound Name3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane
PubChem CID143533126
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane
SMILESCC.CC1(C)C=CC2=C(CCNC2)N=C1
InChIInChI=1S/C11H16N2.C2H6/c1-11(2)5-3-9-7-12-6-4-10(9)13-8-11;1-2/h3,5,8,12H,4,6-7H2,1-2H3;1-2H3
InChIKeyHSAIDDHXHCLWJZ-UHFFFAOYSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 70267946
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine
CID 89334721
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
CID 123521363
N,6,6-trimethyl-2-(3,6,6-trimethylazepin-2-yl)azepin-3-amine
CID 132030070
(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352
2-ethyl-N,6,6-trimethylazepin-3-amine
CID 138573251
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574
(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
CID 139438549
2-(Ethyliminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 141841980
N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
CID 142078579
ethane;N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 142384191

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane?
The IUPAC name of 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane (CID 143533126) is 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane.
What is the SMILES notation for 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane?
The canonical SMILES for 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane is CC.CC1(C)C=CC2=C(CCNC2)N=C1.
What is the InChIKey of 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane?
The InChIKey is HSAIDDHXHCLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-11(2)5-3-9-7-12-6-4-10(9)13-8-11;1-2/h3,5,8,12H,4,6-7H2,1-2H3;1-2H3.
What are the key properties of 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane?
3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane has a molecular weight of 206.33 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]azepine;ethane is sourced from PubChem (CID 143533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).