[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine

C16H24N2O — CID 106822042

IUPAC[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCCc3ccccc3C2)C1
InChIInChI=1S/C16H24N2O/c1-19-15-9-16(10-15,12-17)18-8-4-7-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyMUBGIGNAYWHPJY-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.94
Rot. Bonds3

About [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine

[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine (PubChem CID 106822042) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
PubChem CID106822042
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine
SMILESCOC1CC(CN)(N2CCCc3ccccc3C2)C1
InChIInChI=1S/C16H24N2O/c1-19-15-9-16(10-15,12-17)18-8-4-7-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyMUBGIGNAYWHPJY-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 64745260
[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
CID 65085146
[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
CID 106821998
[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911
[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 54918791
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753229
[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine
CID 106872532

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine?
The IUPAC name of [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine (CID 106822042) is [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine is COC1CC(CN)(N2CCCc3ccccc3C2)C1.
What is the InChIKey of [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine?
The InChIKey is MUBGIGNAYWHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-9-16(10-15,12-17)18-8-4-7-13-5-2-3-6-14(13)11-18/h2-3,5-6,15H,4,7-12,17H2,1H3.
What are the key properties of [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine?
[3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 106822042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).