(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine

C11H16N2 — CID 141299186

IUPAC(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
SMILESCN1CCc2ccccc2[C@H](N)C1
InChIInChI=1S/C11H16N2/c1-13-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1
InChIKeyIVRQWKMFUDQDHH-LLVKDONJSA-N
MW176.26 g/mol
LogP1.17
Rot. Bonds

About (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine

(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine (PubChem CID 141299186) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine.

Molecular Properties

Compound Name(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
PubChem CID141299186
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
SMILESCN1CCc2ccccc2[C@H](N)C1
InChIInChI=1S/C11H16N2/c1-13-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1
InChIKeyIVRQWKMFUDQDHH-LLVKDONJSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67824491
3-methyl-1,2,4,5-tetrahydro-3-benzazepine-5-carboxamide
CID 173183510
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
CID 21474133
(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
CID 45260521
3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009488
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
3-methyl-5-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 70373887
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine?
The IUPAC name of (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine (CID 141299186) is (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine.
What is the SMILES notation for (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine?
The canonical SMILES for (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine is CN1CCc2ccccc2[C@H](N)C1.
What is the InChIKey of (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine?
The InChIKey is IVRQWKMFUDQDHH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1.
What are the key properties of (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine?
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine has a molecular weight of 176.26 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine is sourced from PubChem (CID 141299186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).