3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine

C15H31NO2 — CID 114018986

IUPAC3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCC(C)C)C1OCCC
InChIInChI=1S/C15H31NO2/c1-5-8-16-13-11-14(15(13)18-9-6-2)17-10-7-12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyHVITZVTWWLCIPX-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.98
Rot. Bonds10

About 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine

3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 114018986) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID114018986
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCC(C)C)C1OCCC
InChIInChI=1S/C15H31NO2/c1-5-8-16-13-11-14(15(13)18-9-6-2)17-10-7-12(3)4/h12-16H,5-11H2,1-4H3
InChIKeyHVITZVTWWLCIPX-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723554
2-ethoxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylcyclobutan-1-amine
CID 102723558
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 102723575
3-ethoxy-2-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 104008873
3-ethoxy-2-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 104010069
3-ethoxy-2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 104010095
N-(2,2-difluoroethyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 104010371
2-methoxy-N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 104674435
N-ethyl-2-methoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 104674437
2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 104674931
N-ethyl-2-methoxy-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 104674932
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine (CID 114018986) is 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OCCC(C)C)C1OCCC.
What is the InChIKey of 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is HVITZVTWWLCIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-8-16-13-11-14(15(13)18-9-6-2)17-10-7-12(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine?
3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 114018986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).