1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one

C15H22N2O — CID 165476705

IUPAC1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2CCCC1CN
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-13(10-16)8-5-7-12-6-3-4-9-14(12)17/h3-4,6,9,11,13H,5,7-8,10,16H2,1-2H3
InChIKeyNOVYRLOVALGIFC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds2

About 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one

1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one (PubChem CID 165476705) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
PubChem CID165476705
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1c2ccccc2CCCC1CN
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-13(10-16)8-5-7-12-6-3-4-9-14(12)17/h3-4,6,9,11,13H,5,7-8,10,16H2,1-2H3
InChIKeyNOVYRLOVALGIFC-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
N-[2,6-di(propan-2-yl)phenyl]-3-(2-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropanamide
CID 139751019
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 107143827
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one (CID 165476705) is 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1c2ccccc2CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one?
The InChIKey is NOVYRLOVALGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(18)17-13(10-16)8-5-7-12-6-3-4-9-14(12)17/h3-4,6,9,11,13H,5,7-8,10,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one?
1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 165476705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).