1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C17H26N2O — CID 114338475

IUPAC1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOC1CCCN(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C17H26N2O/c20-17-9-5-13-19(16-8-2-1-7-15(16)17)14-6-12-18-10-3-4-11-18/h1-2,7-8,17,20H,3-6,9-14H2
InChIKeyUTLDXNNTMXMSKV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 114338475) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID114338475
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOC1CCCN(CCCN2CCCC2)c2ccccc21
InChIInChI=1S/C17H26N2O/c20-17-9-5-13-19(16-8-2-1-7-15(16)17)14-6-12-18-10-3-4-11-18/h1-2,7-8,17,20H,3-6,9-14H2
InChIKeyUTLDXNNTMXMSKV-UHFFFAOYSA-N
XLogP2.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-(3-methoxy-3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 103024198
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558248
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 114338475) is 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is OC1CCCN(CCCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is UTLDXNNTMXMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-9-5-13-19(16-8-2-1-7-15(16)17)14-6-12-18-10-3-4-11-18/h1-2,7-8,17,20H,3-6,9-14H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 274.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 114338475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).