2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

C14H22N2 — CID 137474323

IUPAC2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCCC(C)(C)c1ccc2c(n1)NCCCC2
InChIInChI=1S/C14H22N2/c1-4-14(2,3)12-9-8-11-7-5-6-10-15-13(11)16-12/h8-9H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyWBKDWAULDGJICG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.52
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (PubChem CID 137474323) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
PubChem CID137474323
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCCC(C)(C)c1ccc2c(n1)NCCCC2
InChIInChI=1S/C14H22N2/c1-4-14(2,3)12-9-8-11-7-5-6-10-15-13(11)16-12/h8-9H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyWBKDWAULDGJICG-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 123652066
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054842
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The IUPAC name of 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (CID 137474323) is 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is CCC(C)(C)c1ccc2c(n1)NCCCC2.
What is the InChIKey of 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The InChIKey is WBKDWAULDGJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-14(2,3)12-9-8-11-7-5-6-10-15-13(11)16-12/h8-9H,4-7,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine has a molecular weight of 218.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is sourced from PubChem (CID 137474323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).