7-methyl-3-propan-2-yl-4H-azepine

C10H15N — CID 91577023

IUPAC7-methyl-3-propan-2-yl-4H-azepine
SMILESCC1=NC=C(C(C)C)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)10-6-4-5-9(3)11-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyLEYLNDOSIWAOGB-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds1

About 7-methyl-3-propan-2-yl-4H-azepine

7-methyl-3-propan-2-yl-4H-azepine (PubChem CID 91577023) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-4H-azepine.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-4H-azepine
PubChem CID91577023
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name7-methyl-3-propan-2-yl-4H-azepine
SMILESCC1=NC=C(C(C)C)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)10-6-4-5-9(3)11-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyLEYLNDOSIWAOGB-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-4H-azepine?
The IUPAC name of 7-methyl-3-propan-2-yl-4H-azepine (CID 91577023) is 7-methyl-3-propan-2-yl-4H-azepine.
What is the SMILES notation for 7-methyl-3-propan-2-yl-4H-azepine?
The canonical SMILES for 7-methyl-3-propan-2-yl-4H-azepine is CC1=NC=C(C(C)C)CC=C1.
What is the InChIKey of 7-methyl-3-propan-2-yl-4H-azepine?
The InChIKey is LEYLNDOSIWAOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)10-6-4-5-9(3)11-7-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 7-methyl-3-propan-2-yl-4H-azepine?
7-methyl-3-propan-2-yl-4H-azepine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-4H-azepine is sourced from PubChem (CID 91577023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).