3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine

C14H27NO2 — CID 66351376

IUPAC3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(OC)C2)C1
InChIInChI=1S/C14H27NO2/c1-3-7-15-11-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNDMHDOZLECQKOP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine

3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine (PubChem CID 66351376) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
PubChem CID66351376
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(OC)C2)C1
InChIInChI=1S/C14H27NO2/c1-3-7-15-11-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNDMHDOZLECQKOP-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine (CID 66351376) is 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCCC(OC)C2)C1.
What is the InChIKey of 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine?
The InChIKey is NDMHDOZLECQKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-7-15-11-8-14(9-11)17-13-6-4-5-12(10-13)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine?
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66351376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).