3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine

C13H27NO — CID 123278928

IUPAC3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine
SMILESCCCCC1CC(CCCN)C(C)(C)O1
InChIInChI=1S/C13H27NO/c1-4-5-8-12-10-11(7-6-9-14)13(2,3)15-12/h11-12H,4-10,14H2,1-3H3
InChIKeyONOBKCMRWUGVET-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds6

About 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine

3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine (PubChem CID 123278928) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine
PubChem CID123278928
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine
SMILESCCCCC1CC(CCCN)C(C)(C)O1
InChIInChI=1S/C13H27NO/c1-4-5-8-12-10-11(7-6-9-14)13(2,3)15-12/h11-12H,4-10,14H2,1-3H3
InChIKeyONOBKCMRWUGVET-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine (CID 123278928) is 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine is CCCCC1CC(CCCN)C(C)(C)O1.
What is the InChIKey of 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine?
The InChIKey is ONOBKCMRWUGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-8-12-10-11(7-6-9-14)13(2,3)15-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine?
3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butyl-2,2-dimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 123278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).