cyclopentyl-(4-methoxyoxan-4-yl)methanamine

C12H23NO2 — CID 116764544

IUPACcyclopentyl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCCC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-14-12(6-8-15-9-7-12)11(13)10-4-2-3-5-10/h10-11H,2-9,13H2,1H3
InChIKeyXQRAUXGKTKGSPO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds3

About cyclopentyl-(4-methoxyoxan-4-yl)methanamine

cyclopentyl-(4-methoxyoxan-4-yl)methanamine (PubChem CID 116764544) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclopentyl-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(4-methoxyoxan-4-yl)methanamine
PubChem CID116764544
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclopentyl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCCC2)CCOCC1
InChIInChI=1S/C12H23NO2/c1-14-12(6-8-15-9-7-12)11(13)10-4-2-3-5-10/h10-11H,2-9,13H2,1H3
InChIKeyXQRAUXGKTKGSPO-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
(3,5-dimethylcyclohexyl)-(1-methoxycyclopentyl)methanamine
CID 104610627
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of cyclopentyl-(4-methoxyoxan-4-yl)methanamine (CID 116764544) is cyclopentyl-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for cyclopentyl-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for cyclopentyl-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)C2CCCC2)CCOCC1.
What is the InChIKey of cyclopentyl-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is XQRAUXGKTKGSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12(6-8-15-9-7-12)11(13)10-4-2-3-5-10/h10-11H,2-9,13H2,1H3.
What are the key properties of cyclopentyl-(4-methoxyoxan-4-yl)methanamine?
cyclopentyl-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116764544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).