N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine

C12H25NO — CID 75356340

IUPACN-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCC(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-7-9(2)13-10-8-11(3,4)14-12(10,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyLCTMMSHEGSVWHB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds3

About N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine

N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 75356340) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID75356340
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCC(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-7-9(2)13-10-8-11(3,4)14-12(10,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyLCTMMSHEGSVWHB-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine (CID 75356340) is N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine is CCC(C)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is LCTMMSHEGSVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-9(2)13-10-8-11(3,4)14-12(10,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine?
N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 75356340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).