7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine

C14H23N — CID 123362960

IUPAC7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine
SMILESCC(C)C1C=CC(C)(C2CC2C)N=CC1
InChIInChI=1S/C14H23N/c1-10(2)12-5-7-14(4,15-8-6-12)13-9-11(13)3/h5,7-8,10-13H,6,9H2,1-4H3
InChIKeyGEJYKQGESCJFOL-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds2

About 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine

7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine (PubChem CID 123362960) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine.

Molecular Properties

Compound Name7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine
PubChem CID123362960
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine
SMILESCC(C)C1C=CC(C)(C2CC2C)N=CC1
InChIInChI=1S/C14H23N/c1-10(2)12-5-7-14(4,15-8-6-12)13-9-11(13)3/h5,7-8,10-13H,6,9H2,1-4H3
InChIKeyGEJYKQGESCJFOL-UHFFFAOYSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
CID 58637675
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
2-(Cyclopropylmethyl)-2-methylpyrrole
CID 90798396
2-Butan-2-yl-2-propylpyrrole
CID 91290368
2-Hexan-2-yl-2-methylpyrrole
CID 91352263
2-Propan-2-yl-2-propylpyrrole
CID 91513599
N-[3-[(E)-prop-1-enyl]heptan-2-yl]propan-1-imine
CID 118616226
3-ethenyl-4,5,6-trimethyl-2-prop-1-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 123199977
N-[(3Z)-6-ethenyl-3-ethylidene-8-methyl-2-[(1E)-penta-1,3-dienyl]-1-bicyclo[5.1.0]octa-4,6-dienyl]propan-1-imine
CID 130291482
N-[[7-[(2S)-butan-2-yl]cyclohepta-1,3,6-trien-1-yl]methyl]propan-1-imine
CID 146180344
9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
CID 158184020

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine?
The IUPAC name of 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine (CID 123362960) is 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine.
What is the SMILES notation for 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine?
The canonical SMILES for 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine is CC(C)C1C=CC(C)(C2CC2C)N=CC1.
What is the InChIKey of 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine?
The InChIKey is GEJYKQGESCJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)12-5-7-14(4,15-8-6-12)13-9-11(13)3/h5,7-8,10-13H,6,9H2,1-4H3.
What are the key properties of 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine?
7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine has a molecular weight of 205.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(2-methylcyclopropyl)-4-propan-2-yl-3,4-dihydroazepine is sourced from PubChem (CID 123362960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).