6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine

C11H15N3 — CID 164553716

IUPAC6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine
SMILESCC(C)C1(C)C=Cc2[nH]cnc2N=C1
InChIInChI=1S/C11H15N3/c1-8(2)11(3)5-4-9-10(12-6-11)14-7-13-9/h4-8H,1-3H3,(H,13,14)
InChIKeyMQMNGMMJOKRXSY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.80
Rot. Bonds1

About 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine

6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine (PubChem CID 164553716) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine.

Molecular Properties

Compound Name6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine
PubChem CID164553716
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine
SMILESCC(C)C1(C)C=Cc2[nH]cnc2N=C1
InChIInChI=1S/C11H15N3/c1-8(2)11(3)5-4-9-10(12-6-11)14-7-13-9/h4-8H,1-3H3,(H,13,14)
InChIKeyMQMNGMMJOKRXSY-UHFFFAOYSA-N
XLogP2.80
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine?
The IUPAC name of 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine (CID 164553716) is 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine.
What is the SMILES notation for 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine?
The canonical SMILES for 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine is CC(C)C1(C)C=Cc2[nH]cnc2N=C1.
What is the InChIKey of 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine?
The InChIKey is MQMNGMMJOKRXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)11(3)5-4-9-10(12-6-11)14-7-13-9/h4-8H,1-3H3,(H,13,14).
What are the key properties of 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine?
6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine has a molecular weight of 189.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yl-1H-imidazo[4,5-b]azepine is sourced from PubChem (CID 164553716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).