2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine

C18H28N2O — CID 64735267

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCOc3ccccc3C2)C(N)C1
InChIInChI=1S/C18H28N2O/c1-13-9-14(2)16(17(19)10-13)12-20-7-8-21-18-6-4-3-5-15(18)11-20/h3-6,13-14,16-17H,7-12,19H2,1-2H3
InChIKeyGWAZRMCAGLGNRL-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.89
Rot. Bonds2

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735267) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64735267
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCOc3ccccc3C2)C(N)C1
InChIInChI=1S/C18H28N2O/c1-13-9-14(2)16(17(19)10-13)12-20-7-8-21-18-6-4-3-5-15(18)11-20/h3-6,13-14,16-17H,7-12,19H2,1-2H3
InChIKeyGWAZRMCAGLGNRL-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine (CID 64735267) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(CN2CCOc3ccccc3C2)C(N)C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is GWAZRMCAGLGNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-9-14(2)16(17(19)10-13)12-20-7-8-21-18-6-4-3-5-15(18)11-20/h3-6,13-14,16-17H,7-12,19H2,1-2H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).