1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol

C14H22N2O — CID 114336015

IUPAC1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC(N)c2ccccc21
InChIInChI=1S/C14H22N2O/c1-14(2,17)10-16-9-5-7-12(15)11-6-3-4-8-13(11)16/h3-4,6,8,12,17H,5,7,9-10,15H2,1-2H3
InChIKeyZUWGYLSKPSWPIZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds2

About 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol

1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol (PubChem CID 114336015) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
PubChem CID114336015
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC(N)c2ccccc21
InChIInChI=1S/C14H22N2O/c1-14(2,17)10-16-9-5-7-12(15)11-6-3-4-8-13(11)16/h3-4,6,8,12,17H,5,7,9-10,15H2,1-2H3
InChIKeyZUWGYLSKPSWPIZ-UHFFFAOYSA-N
XLogP2.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
CID 107899389
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335994
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336059

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol (CID 114336015) is 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCCC(N)c2ccccc21.
What is the InChIKey of 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol?
The InChIKey is ZUWGYLSKPSWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,17)10-16-9-5-7-12(15)11-6-3-4-8-13(11)16/h3-4,6,8,12,17H,5,7,9-10,15H2,1-2H3.
What are the key properties of 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol?
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 114336015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).