8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine

C14H16N2 — CID 142875295

IUPAC8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
SMILESC=C(C)CC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C14H16N2/c1-11(2)9-14(3)6-8-16-12-5-4-7-15-13(12)10-14/h4-8,10H,1,9H2,2-3H3
InChIKeyMKKQUWCWTWWFPI-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.98
Rot. Bonds2

About 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine

8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine (PubChem CID 142875295) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine.

Molecular Properties

Compound Name8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
PubChem CID142875295
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
SMILESC=C(C)CC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C14H16N2/c1-11(2)9-14(3)6-8-16-12-5-4-7-15-13(12)10-14/h4-8,10H,1,9H2,2-3H3
InChIKeyMKKQUWCWTWWFPI-UHFFFAOYSA-N
XLogP1.98
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
2-Tert-butyl-3,8a-dihydro-1,6-naphthyridine
CID 123175766
4-Butyl-4-methylazepine
CID 123402055
(Z)-2,2,4-trimethyl-N-[(3E)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]hex-4-en-3-imine
CID 129090816
4a,7-Dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane
CID 142805224
8,8-Dimethylpyrido[3,2-b]azepine
CID 142875350
8,8-Dimethyl-6,7-dihydropyrido[3,2-b]azepine
CID 142875425
8,8-Dimethylpyrido[3,2-b]azepine;ethane
CID 142875442
4,4-Dimethylpyrido[3,4-b]azepine;ethane
CID 143321819
3-tert-butyl-4H-azepine
CID 144395952
ethane;N-(7-ethenyl-3-methyl-4H-azepin-6-yl)methanimine
CID 153611245
(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine
CID 155455534

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine?
The IUPAC name of 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine (CID 142875295) is 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine.
What is the SMILES notation for 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine?
The canonical SMILES for 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine is C=C(C)CC1(C)C=CN=c2cccnc2=C1.
What is the InChIKey of 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine?
The InChIKey is MKKQUWCWTWWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(2)9-14(3)6-8-16-12-5-4-7-15-13(12)10-14/h4-8,10H,1,9H2,2-3H3.
What are the key properties of 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine?
8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine has a molecular weight of 212.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine is sourced from PubChem (CID 142875295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).