5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine

C13H17N — CID 173494015

IUPAC5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC=C1CCCNc2ccc(C)cc21
InChIInChI=1S/C13H17N/c1-3-11-5-4-8-14-13-7-6-10(2)9-12(11)13/h3,6-7,9,14H,4-5,8H2,1-2H3
InChIKeyMNGJWWNCOGHOOO-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.60
Rot. Bonds

About 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine

5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine (PubChem CID 173494015) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine
PubChem CID173494015
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine
SMILESCC=C1CCCNc2ccc(C)cc21
InChIInChI=1S/C13H17N/c1-3-11-5-4-8-14-13-7-6-10(2)9-12(11)13/h3,6-7,9,14H,4-5,8H2,1-2H3
InChIKeyMNGJWWNCOGHOOO-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 45098257
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene
CID 177439207
N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine
CID 129208962
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
9-methyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d][1]benzazepine
CID 96610920
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine?
The IUPAC name of 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine (CID 173494015) is 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine.
What is the SMILES notation for 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine?
The canonical SMILES for 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine is CC=C1CCCNc2ccc(C)cc21.
What is the InChIKey of 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine?
The InChIKey is MNGJWWNCOGHOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11-5-4-8-14-13-7-6-10(2)9-12(11)13/h3,6-7,9,14H,4-5,8H2,1-2H3.
What are the key properties of 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine?
5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine has a molecular weight of 187.29 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine is sourced from PubChem (CID 173494015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).