methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine

C12H19N — CID 161272103

IUPACmethane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CN1CCCCc2ccccc21
InChIInChI=1S/C11H15N.CH4/c1-12-9-5-4-7-10-6-2-3-8-11(10)12;/h2-3,6,8H,4-5,7,9H2,1H3;1H4
InChIKeyVDYLZWCIFFPJCH-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.10
Rot. Bonds

About methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine

methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 161272103) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Namemethane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID161272103
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Namemethane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
SMILESC.CN1CCCCc2ccccc21
InChIInChI=1S/C11H15N.CH4/c1-12-9-5-4-7-10-6-2-3-8-11(10)12;/h2-3,6,8H,4-5,7,9H2,1H3;1H4
InChIKeyVDYLZWCIFFPJCH-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
3-ethyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;propane
CID 156800720
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine (CID 161272103) is methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine is C.CN1CCCCc2ccccc21.
What is the InChIKey of methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is VDYLZWCIFFPJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.CH4/c1-12-9-5-4-7-10-6-2-3-8-11(10)12;/h2-3,6,8H,4-5,7,9H2,1H3;1H4.
What are the key properties of methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine?
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 177.29 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 161272103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).