2,6-dimethyl-2-propan-2-ylazepine

C11H17N — CID 91334591

IUPAC2,6-dimethyl-2-propan-2-ylazepine
SMILESCC1=CC=CC(C)(C(C)C)N=C1
InChIInChI=1S/C11H17N/c1-9(2)11(4)7-5-6-10(3)8-12-11/h5-9H,1-4H3
InChIKeyWTKMOTCVIHKPAA-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds1

About 2,6-dimethyl-2-propan-2-ylazepine

2,6-dimethyl-2-propan-2-ylazepine (PubChem CID 91334591) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,6-dimethyl-2-propan-2-ylazepine.

Molecular Properties

Compound Name2,6-dimethyl-2-propan-2-ylazepine
PubChem CID91334591
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,6-dimethyl-2-propan-2-ylazepine
SMILESCC1=CC=CC(C)(C(C)C)N=C1
InChIInChI=1S/C11H17N/c1-9(2)11(4)7-5-6-10(3)8-12-11/h5-9H,1-4H3
InChIKeyWTKMOTCVIHKPAA-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-propan-2-ylazepine?
The IUPAC name of 2,6-dimethyl-2-propan-2-ylazepine (CID 91334591) is 2,6-dimethyl-2-propan-2-ylazepine.
What is the SMILES notation for 2,6-dimethyl-2-propan-2-ylazepine?
The canonical SMILES for 2,6-dimethyl-2-propan-2-ylazepine is CC1=CC=CC(C)(C(C)C)N=C1.
What is the InChIKey of 2,6-dimethyl-2-propan-2-ylazepine?
The InChIKey is WTKMOTCVIHKPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(4)7-5-6-10(3)8-12-11/h5-9H,1-4H3.
What are the key properties of 2,6-dimethyl-2-propan-2-ylazepine?
2,6-dimethyl-2-propan-2-ylazepine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-propan-2-ylazepine is sourced from PubChem (CID 91334591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).