8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine

C14H18N2 — CID 155719633

IUPAC8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine
SMILESCC(C)c1ccnc2c1=NC=CC(C)(C)C=2
InChIInChI=1S/C14H18N2/c1-10(2)11-5-7-15-12-9-14(3,4)6-8-16-13(11)12/h5-10H,1-4H3
InChIKeyJUZULHODCQAICD-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.16
Rot. Bonds1

About 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine

8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine (PubChem CID 155719633) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine.

Molecular Properties

Compound Name8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine
PubChem CID155719633
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine
SMILESCC(C)c1ccnc2c1=NC=CC(C)(C)C=2
InChIInChI=1S/C14H18N2/c1-10(2)11-5-7-15-12-9-14(3,4)6-8-16-13(11)12/h5-10H,1-4H3
InChIKeyJUZULHODCQAICD-UHFFFAOYSA-N
XLogP2.16
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
CID 90153623
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
8-ethyl-7-methyl-5,6-dihydro-4aH-pyrido[2,3-b]azepine
CID 139342539
6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078
N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine
CID 142311467
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613
6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine
CID 142816594
8-Methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
CID 142875295

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine?
The IUPAC name of 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine (CID 155719633) is 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine.
What is the SMILES notation for 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine?
The canonical SMILES for 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine is CC(C)c1ccnc2c1=NC=CC(C)(C)C=2.
What is the InChIKey of 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine?
The InChIKey is JUZULHODCQAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)11-5-7-15-12-9-14(3,4)6-8-16-13(11)12/h5-10H,1-4H3.
What are the key properties of 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine?
8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine has a molecular weight of 214.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-propan-2-ylpyrido[3,2-b]azepine is sourced from PubChem (CID 155719633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).