3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine

C21H31N3O4 — CID 132519369

IUPAC3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCC(COCC(CN(Cc1ccccn1)Cc1ccccn1)OC)OC
InChIInChI=1S/C21H31N3O4/c1-25-15-21(27-3)17-28-16-20(26-2)14-24(12-18-8-4-6-10-22-18)13-19-9-5-7-11-23-19/h4-11,20-21H,12-17H2,1-3H3
InChIKeyWDDCDYOXIGSCFI-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.17
Rot. Bonds14

About 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine

3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 132519369) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
PubChem CID132519369
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCC(COCC(CN(Cc1ccccn1)Cc1ccccn1)OC)OC
InChIInChI=1S/C21H31N3O4/c1-25-15-21(27-3)17-28-16-20(26-2)14-24(12-18-8-4-6-10-22-18)13-19-9-5-7-11-23-19/h4-11,20-21H,12-17H2,1-3H3
InChIKeyWDDCDYOXIGSCFI-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
2-methoxy-4-pyridin-2-ylbutan-1-ol
CID 145217411
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-methoxymethanol
CID 134275040
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
CID 15831001

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine (CID 132519369) is 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine is COCC(COCC(CN(Cc1ccccn1)Cc1ccccn1)OC)OC.
What is the InChIKey of 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is WDDCDYOXIGSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-25-15-21(27-3)17-28-16-20(26-2)14-24(12-18-8-4-6-10-22-18)13-19-9-5-7-11-23-19/h4-11,20-21H,12-17H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine?
3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 389.50 g/mol, XLogP of 2.17, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 132519369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).