3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine

C15H31NO2 — CID 114019041

IUPAC3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)CCC)C1OCCC
InChIInChI=1S/C15H31NO2/c1-5-8-12(4)18-14-11-13(16-9-6-2)15(14)17-10-7-3/h12-16H,5-11H2,1-4H3
InChIKeyGVJNFXHGEQNLBZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds10

About 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine

3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 114019041) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID114019041
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)CCC)C1OCCC
InChIInChI=1S/C15H31NO2/c1-5-8-12(4)18-14-11-13(16-9-6-2)15(14)17-10-7-3/h12-16H,5-11H2,1-4H3
InChIKeyGVJNFXHGEQNLBZ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114018986
2-ethoxy-N-methyl-3-pentan-2-yloxycyclobutan-1-amine
CID 102988780
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 104676190
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656
2-ethoxy-3-pentan-2-yloxycyclobutan-1-ol
CID 102988633
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
2-methoxy-3-pentan-2-yloxycyclobutan-1-ol
CID 102988631
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine (CID 114019041) is 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC(C)CCC)C1OCCC.
What is the InChIKey of 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is GVJNFXHGEQNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-8-12(4)18-14-11-13(16-9-6-2)15(14)17-10-7-3/h12-16H,5-11H2,1-4H3.
What are the key properties of 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine?
3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxy-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 114019041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).