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

C10H17N — CID 91201172

IUPAC5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC1=CC=NCC(C(C)C)C1
InChIInChI=1S/C10H17N/c1-8(2)10-6-9(3)4-5-11-7-10/h4-5,8,10H,6-7H2,1-3H3
InChIKeyMUXSXGWOPCGTCU-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds1

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

5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine (PubChem CID 91201172) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
PubChem CID91201172
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC1=CC=NCC(C(C)C)C1
InChIInChI=1S/C10H17N/c1-8(2)10-6-9(3)4-5-11-7-10/h4-5,8,10H,6-7H2,1-3H3
InChIKeyMUXSXGWOPCGTCU-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
7,8-Dimethyl-4-propan-2-yl-2-azabicyclo[4.1.1]octa-2,4-diene
CID 67519068
(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
CID 89017608
(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
CID 89029589

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The IUPAC name of 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine (CID 91201172) is 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The canonical SMILES for 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine is CC1=CC=NCC(C(C)C)C1.
What is the InChIKey of 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The InChIKey is MUXSXGWOPCGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10-6-9(3)4-5-11-7-10/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 91201172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).