(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

C17H26N2O2 — CID 99837880

IUPAC(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCOC1(CN[C@@H]2CCCNc3ccccc32)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-20-17(8-11-21-12-9-17)13-19-16-7-4-10-18-15-6-3-2-5-14(15)16/h2-3,5-6,16,18-19H,4,7-13H2,1H3/t16-/m1/s1
InChIKeyQZHOUGNUYWGASJ-MRXNPFEDSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds4

About (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 99837880) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound Name(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID99837880
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCOC1(CN[C@@H]2CCCNc3ccccc32)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-20-17(8-11-21-12-9-17)13-19-16-7-4-10-18-15-6-3-2-5-14(15)16/h2-3,5-6,16,18-19H,4,7-13H2,1H3/t16-/m1/s1
InChIKeyQZHOUGNUYWGASJ-MRXNPFEDSA-N
XLogP2.72
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 99837880) is (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is COC1(CN[C@@H]2CCCNc3ccccc32)CCOCC1.
What is the InChIKey of (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is QZHOUGNUYWGASJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-17(8-11-21-12-9-17)13-19-16-7-4-10-18-15-6-3-2-5-14(15)16/h2-3,5-6,16,18-19H,4,7-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 290.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 99837880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).