3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine

C10H17N — CID 89063696

IUPAC3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)C1C=CC=NCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-5-4-6-11-7-9(10)3/h4-6,8-10H,7H2,1-3H3
InChIKeyIWADTLPPOBOCFR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.54
Rot. Bonds1

About 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine

3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine (PubChem CID 89063696) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
PubChem CID89063696
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)C1C=CC=NCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-5-4-6-11-7-9(10)3/h4-6,8-10H,7H2,1-3H3
InChIKeyIWADTLPPOBOCFR-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine?
The IUPAC name of 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine (CID 89063696) is 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine?
The canonical SMILES for 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine is CC(C)C1C=CC=NCC1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine?
The InChIKey is IWADTLPPOBOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10-5-4-6-11-7-9(10)3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine?
3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 89063696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).