(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C14H25NO3 — CID 114624595

IUPAC(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2(C)COCC2N)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-12(2)6-9(13(3,4)18-12)11(16)14(5)8-17-7-10(14)15/h9-10H,6-8,15H2,1-5H3
InChIKeyNHEWWOHPVYRPJX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.51
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114624595) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114624595
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2(C)COCC2N)C(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-12(2)6-9(13(3,4)18-12)11(16)14(5)8-17-7-10(14)15/h9-10H,6-8,15H2,1-5H3
InChIKeyNHEWWOHPVYRPJX-UHFFFAOYSA-N
XLogP1.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114624595) is (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)C2(C)COCC2N)C(C)(C)O1.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is NHEWWOHPVYRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2)6-9(13(3,4)18-12)11(16)14(5)8-17-7-10(14)15/h9-10H,6-8,15H2,1-5H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114624595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).