N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine

C13H20N2O3 — CID 102236223

IUPACN,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine
SMILESCN(C)c1cc2nc(c1)COCCOCCOC2
InChIInChI=1S/C13H20N2O3/c1-15(2)13-7-11-9-17-5-3-16-4-6-18-10-12(8-13)14-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyQTQKUVGWCWSXNI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.21
Rot. Bonds1

About N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine

N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine (PubChem CID 102236223) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine.

Molecular Properties

Compound NameN,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine
PubChem CID102236223
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine
SMILESCN(C)c1cc2nc(c1)COCCOCCOC2
InChIInChI=1S/C13H20N2O3/c1-15(2)13-7-11-9-17-5-3-16-4-6-18-10-12(8-13)14-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyQTQKUVGWCWSXNI-UHFFFAOYSA-N
XLogP1.21
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine with MolForge

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Related Compounds

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CID 101222041
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CID 67021647
(5S,13S)-5,13-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene
CID 102505485
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
7,10,13,16-tetraoxa-3,20-dithia-27,28-diazatetracyclo[20.3.1.12,5.118,21]octacosa-1(26),2(28),4,18,21(27),22,24-heptaene
CID 10549963
N,N-dimethyl-2,6-bis(methylsulfanyl)pyridin-4-amine
CID 11117414
N,N-dimethyl-4-morpholin-4-ylaniline
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4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
2,6-bis[(dimethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 14817308
5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine
CID 101174054
N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 59811898
19-methoxy-6,9,12-trioxa-3,15,21-triazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene
CID 14203816

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine?
The IUPAC name of N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine (CID 102236223) is N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine.
What is the SMILES notation for N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine?
The canonical SMILES for N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine is CN(C)c1cc2nc(c1)COCCOCCOC2.
What is the InChIKey of N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine?
The InChIKey is QTQKUVGWCWSXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)13-7-11-9-17-5-3-16-4-6-18-10-12(8-13)14-11/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine?
N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine has a molecular weight of 252.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,6,9-trioxa-15-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-13-amine is sourced from PubChem (CID 102236223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).