3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine

C14H29NO2 — CID 66232235

IUPAC3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-5-8-15-12-6-9-16-11-13(12)17-10-7-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyMVOWELSMFVJIAR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds6

About 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine

3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine (PubChem CID 66232235) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
PubChem CID66232235
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-5-8-15-12-6-9-16-11-13(12)17-10-7-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyMVOWELSMFVJIAR-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine (CID 66232235) is 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine is CCCNC1CCOCC1OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine?
The InChIKey is MVOWELSMFVJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-15-12-6-9-16-11-13(12)17-10-7-14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine?
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine is sourced from PubChem (CID 66232235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).