4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine

C14H26N2O2 — CID 66371661

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1-2-5-15-14-10-17-9-11(14)6-16-7-12-3-4-13(8-16)18-12/h11-15H,2-10H2,1H3
InChIKeyPULJSSAHWSAPQC-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.86
Rot. Bonds5

About 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine (PubChem CID 66371661) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine
PubChem CID66371661
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1-2-5-15-14-10-17-9-11(14)6-16-7-12-3-4-13(8-16)18-12/h11-15H,2-10H2,1H3
InChIKeyPULJSSAHWSAPQC-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
CID 113335831
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
CID 66255259
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)oxolan-3-amine
CID 66370479
4-[(2-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 66256953
N-ethyl-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-amine
CID 66371197
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine
CID 103534971
4-[(3-ethylmorpholin-4-yl)methyl]-N-propyloxolan-3-amine
CID 66255623
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
N-propyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490092
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine (CID 66371661) is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine is CCCNC1COCC1CN1CC2CCC(C1)O2.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine?
The InChIKey is PULJSSAHWSAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-5-15-14-10-17-9-11(14)6-16-7-12-3-4-13(8-16)18-12/h11-15H,2-10H2,1H3.
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine?
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine has a molecular weight of 254.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine is sourced from PubChem (CID 66371661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).