2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine

C14H29NO — CID 114622277

IUPAC2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
SMILESCCC(N)(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO/c1-8-14(15,10(2)3)11-9-12(4,5)16-13(11,6)7/h10-11H,8-9,15H2,1-7H3
InChIKeyKYMMQHWROPTEFA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine (PubChem CID 114622277) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
PubChem CID114622277
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
SMILESCCC(N)(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO/c1-8-14(15,10(2)3)11-9-12(4,5)16-13(11,6)7/h10-11H,8-9,15H2,1-7H3
InChIKeyKYMMQHWROPTEFA-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine?
The IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine (CID 114622277) is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine.
What is the SMILES notation for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine?
The canonical SMILES for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine is CCC(N)(C(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine?
The InChIKey is KYMMQHWROPTEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-14(15,10(2)3)11-9-12(4,5)16-13(11,6)7/h10-11H,8-9,15H2,1-7H3.
What are the key properties of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine?
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine is sourced from PubChem (CID 114622277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).