(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone

C15H28N2O2 — CID 102628805

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2CCCOCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-11-13(16)6-5-12(15(11,2)3)14(18)17-7-4-9-19-10-8-17/h11-13H,4-10,16H2,1-3H3
InChIKeyLVXCWRHHJSVKPF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds1

About (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone

(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 102628805) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID102628805
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2CCCOCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-11-13(16)6-5-12(15(11,2)3)14(18)17-7-4-9-19-10-8-17/h11-13H,4-10,16H2,1-3H3
InChIKeyLVXCWRHHJSVKPF-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone (CID 102628805) is (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone is CC1C(N)CCC(C(=O)N2CCCOCC2)C1(C)C.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is LVXCWRHHJSVKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-13(16)6-5-12(15(11,2)3)14(18)17-7-4-9-19-10-8-17/h11-13H,4-10,16H2,1-3H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 102628805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).