5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol

C17H27N3O — CID 103983507

IUPAC5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C1CCNCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-19(2)11-14-9-15(21)12-20(14)17-7-8-18-10-13-5-3-4-6-16(13)17/h3-6,14-15,17-18,21H,7-12H2,1-2H3
InChIKeyUXYHXTLZBBSPFI-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.22
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol (PubChem CID 103983507) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol
PubChem CID103983507
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C1CCNCc2ccccc21
InChIInChI=1S/C17H27N3O/c1-19(2)11-14-9-15(21)12-20(14)17-7-8-18-10-13-5-3-4-6-16(13)17/h3-6,14-15,17-18,21H,7-12H2,1-2H3
InChIKeyUXYHXTLZBBSPFI-UHFFFAOYSA-N
XLogP1.22
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
CID 102734826
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983588
3-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperazine-2,6-dione
CID 103983515
1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103983370
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
1-cyclopentyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051873
1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
5-[(dimethylamino)methyl]-1-[2-(1-hydroxypropyl)phenyl]pyrrolidin-3-ol
CID 115996022
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol (CID 103983507) is 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1C1CCNCc2ccccc21.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol?
The InChIKey is UXYHXTLZBBSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)11-14-9-15(21)12-20(14)17-7-8-18-10-13-5-3-4-6-16(13)17/h3-6,14-15,17-18,21H,7-12H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol has a molecular weight of 289.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103983507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).