7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine

C13H21N — CID 143497428

IUPAC7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine
SMILESC=CC1=C(C=C(C)C)CCCCN1C
InChIInChI=1S/C13H21N/c1-5-13-12(10-11(2)3)8-6-7-9-14(13)4/h5,10H,1,6-9H2,2-4H3
InChIKeyARQAWBAUTDVBJU-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.51
Rot. Bonds2

About 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine

7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine (PubChem CID 143497428) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine.

Molecular Properties

Compound Name7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine
PubChem CID143497428
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine
SMILESC=CC1=C(C=C(C)C)CCCCN1C
InChIInChI=1S/C13H21N/c1-5-13-12(10-11(2)3)8-6-7-9-14(13)4/h5,10H,1,6-9H2,2-4H3
InChIKeyARQAWBAUTDVBJU-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
9-Fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
CID 138564152
N-ethyl-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylpropan-1-amine
CID 142869610
Ethane;1-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydrocyclohepta[b]pyridine
CID 143548588
(3Z,5E)-N-(4-cyclohexa-1,5-dien-1-ylbutyl)-N-ethyl-2,4-difluorohepta-1,3,5-trien-3-amine
CID 146754551
6-ethenyl-5-(1-fluoroethenyl)-1-methyl-3,4-dihydro-2H-pyridine
CID 156800551
6-ethenyl-1-ethyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyridine
CID 156800818
N-pentyl-N-propyl-5-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 169983695
N'-[2-[(Z)-hex-1-enyl]cyclopenten-1-yl]-N,N,N'-trimethylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine?
The IUPAC name of 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine (CID 143497428) is 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine.
What is the SMILES notation for 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine?
The canonical SMILES for 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine is C=CC1=C(C=C(C)C)CCCCN1C.
What is the InChIKey of 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine?
The InChIKey is ARQAWBAUTDVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13-12(10-11(2)3)8-6-7-9-14(13)4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine?
7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine has a molecular weight of 191.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1-methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydroazepine is sourced from PubChem (CID 143497428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).