1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C18H28N2O — CID 114620929

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCC1(C)CC(N2CCCC(N)c3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-17(2)12-16(18(3,4)21-17)20-11-7-9-14(19)13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3
InChIKeyYDAQLJZHHRJBNR-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.63
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114620929) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114620929
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCC1(C)CC(N2CCCC(N)c3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-17(2)12-16(18(3,4)21-17)20-11-7-9-14(19)13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3
InChIKeyYDAQLJZHHRJBNR-UHFFFAOYSA-N
XLogP3.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114620929) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CC1(C)CC(N2CCCC(N)c3ccccc32)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is YDAQLJZHHRJBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)12-16(18(3,4)21-17)20-11-7-9-14(19)13-8-5-6-10-15(13)20/h5-6,8,10,14,16H,7,9,11-12,19H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 288.43 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114620929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).