5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine

C14H22N4O — CID 103056605

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H22N4O/c1-2-5-15-14-7-16-11(6-17-14)8-18-9-12-3-4-13(10-18)19-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,15,17)
InChIKeyCNUQXSHYQLXJBW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds5

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine (PubChem CID 103056605) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
PubChem CID103056605
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H22N4O/c1-2-5-15-14-7-16-11(6-17-14)8-18-9-12-3-4-13(10-18)19-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,15,17)
InChIKeyCNUQXSHYQLXJBW-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103056437
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-N-propylpyrazin-2-amine
CID 103056582
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085
2-[1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidin-4-yl]oxyethanol
CID 103056751
[4-[[5-(ethylamino)pyrazin-2-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 103056969
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
3-[[5-(propylamino)pyrazin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103057419
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
CID 103055458
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103055739
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine (CID 103056605) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine is CCCNc1cnc(CN2CC3CCC(C2)O3)cn1.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine?
The InChIKey is CNUQXSHYQLXJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-5-15-14-7-16-11(6-17-14)8-18-9-12-3-4-13(10-18)19-12/h6-7,12-13H,2-5,8-10H2,1H3,(H,15,17).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 103056605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).