[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine

C13H25NO2 — CID 115669701

IUPAC[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OC2COC2)CC1
InChIInChI=1S/C13H25NO2/c1-2-3-11-4-6-13(10-14,7-5-11)16-12-8-15-9-12/h11-12H,2-10,14H2,1H3
InChIKeyMNSGDNLLTDLJNV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine

[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine (PubChem CID 115669701) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
PubChem CID115669701
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OC2COC2)CC1
InChIInChI=1S/C13H25NO2/c1-2-3-11-4-6-13(10-14,7-5-11)16-12-8-15-9-12/h11-12H,2-10,14H2,1H3
InChIKeyMNSGDNLLTDLJNV-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine (CID 115669701) is [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OC2COC2)CC1.
What is the InChIKey of [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine?
The InChIKey is MNSGDNLLTDLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-11-4-6-13(10-14,7-5-11)16-12-8-15-9-12/h11-12H,2-10,14H2,1H3.
What are the key properties of [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine?
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 115669701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).