4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine

C10H17N — CID 89360358

IUPAC4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine
SMILESCC(C)C1C=NC=CCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-7-11-6-4-5-9(10)3/h4,6-10H,5H2,1-3H3
InChIKeyDZGKBFBLPIPSMO-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.88
Rot. Bonds1

About 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine

4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine (PubChem CID 89360358) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine
PubChem CID89360358
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine
SMILESCC(C)C1C=NC=CCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-7-11-6-4-5-9(10)3/h4,6-10H,5H2,1-3H3
InChIKeyDZGKBFBLPIPSMO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-5-propan-2-yl-4,5-dihydro-3H-azepine
CID 123302321
5-but-3-enyl-7-fluoro-4,5-dihydro-3H-azepine
CID 134400234
(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
CID 137399813
4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
CID 175392976
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
3-Cyclopropyl-3,4-dihydropyridine
CID 53937988
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3,3-Di(propan-2-yl)pyrrole
CID 58056046
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine?
The IUPAC name of 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine (CID 89360358) is 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine?
The canonical SMILES for 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine is CC(C)C1C=NC=CCC1C.
What is the InChIKey of 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine?
The InChIKey is DZGKBFBLPIPSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10-7-11-6-4-5-9(10)3/h4,6-10H,5H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine?
4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine is sourced from PubChem (CID 89360358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).