7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine

C14H25N — CID 90924955

IUPAC7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)C1CN=C(C(C)(C)C)C=CC1C
InChIInChI=1S/C14H25N/c1-10(2)12-9-15-13(14(4,5)6)8-7-11(12)3/h7-8,10-12H,9H2,1-6H3
InChIKeyFMBFUVGTAZDLPV-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.95
Rot. Bonds1

About 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine

7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine (PubChem CID 90924955) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
PubChem CID90924955
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)C1CN=C(C(C)(C)C)C=CC1C
InChIInChI=1S/C14H25N/c1-10(2)12-9-15-13(14(4,5)6)8-7-11(12)3/h7-8,10-12H,9H2,1-6H3
InChIKeyFMBFUVGTAZDLPV-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-ethyl-4-methyl-3,4-dihydro-2H-azepine
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6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
CID 90748347
3,3,11,11-Tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1,6,8-triene
CID 90959897
6-(3-Methylbutan-2-yl)-2,3-dihydropyridine
CID 91073798
(Z)-N-ethyl-3,3-dimethylnon-5-en-4-imine
CID 91085626
4,4,5-trimethyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyridine
CID 91138716
7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
CID 91167971
N-butyl-3,5,5-trimethylcyclohepta-2,6-dien-1-imine
CID 91528900
(8Z)-4,8-dimethyl-3,3a,4,7-tetrahydro-2H-cycloocta[b]pyrrole
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CID 123167409

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The IUPAC name of 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine (CID 90924955) is 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The canonical SMILES for 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine is CC(C)C1CN=C(C(C)(C)C)C=CC1C.
What is the InChIKey of 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
The InChIKey is FMBFUVGTAZDLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)12-9-15-13(14(4,5)6)8-7-11(12)3/h7-8,10-12H,9H2,1-6H3.
What are the key properties of 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine?
7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine has a molecular weight of 207.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 90924955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).