3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine

C11H17N3 — CID 83864770

IUPAC3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCc1nc2c(n1C1CC1)CCNCC2
InChIInChI=1S/C11H17N3/c1-8-13-10-4-6-12-7-5-11(10)14(8)9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyYOUFFGVCXTVWSA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.21
Rot. Bonds1

About 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine

3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (PubChem CID 83864770) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
PubChem CID83864770
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCc1nc2c(n1C1CC1)CCNCC2
InChIInChI=1S/C11H17N3/c1-8-13-10-4-6-12-7-5-11(10)14(8)9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyYOUFFGVCXTVWSA-UHFFFAOYSA-N
XLogP1.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The IUPAC name of 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (CID 83864770) is 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.
What is the SMILES notation for 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The canonical SMILES for 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is Cc1nc2c(n1C1CC1)CCNCC2.
What is the InChIKey of 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The InChIKey is YOUFFGVCXTVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-13-10-4-6-12-7-5-11(10)14(8)9-2-3-9/h9,12H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine has a molecular weight of 191.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is sourced from PubChem (CID 83864770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).