3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol

C14H20N2O — CID 103982387

IUPAC3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
SMILESOC1CC(NC2CCNCc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c17-12-7-11(8-12)16-14-5-6-15-9-10-3-1-2-4-13(10)14/h1-4,11-12,14-17H,5-9H2
InChIKeyYPJHJMMQHMMEIW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.33
Rot. Bonds2

About 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol

3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol (PubChem CID 103982387) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
PubChem CID103982387
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
SMILESOC1CC(NC2CCNCc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c17-12-7-11(8-12)16-14-5-6-15-9-10-3-1-2-4-13(10)14/h1-4,11-12,14-17H,5-9H2
InChIKeyYPJHJMMQHMMEIW-UHFFFAOYSA-N
XLogP1.33
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(oxan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982134
N-(2-methylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980528
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
N-(2,3-dimethylcyclohexyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980585
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)piperidine-2,6-dione
CID 103982382
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131
2,5-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)phenol
CID 106953979
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol?
The IUPAC name of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol (CID 103982387) is 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol?
The canonical SMILES for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol is OC1CC(NC2CCNCc3ccccc32)C1.
What is the InChIKey of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol?
The InChIKey is YPJHJMMQHMMEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-12-7-11(8-12)16-14-5-6-15-9-10-3-1-2-4-13(10)14/h1-4,11-12,14-17H,5-9H2.
What are the key properties of 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol?
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 103982387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).