1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

C15H27N3O — CID 107505531

IUPAC1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCCCNC(COC)CN(CC)Cc1ccncc1
InChIInChI=1S/C15H27N3O/c1-4-8-17-15(13-19-3)12-18(5-2)11-14-6-9-16-10-7-14/h6-7,9-10,15,17H,4-5,8,11-13H2,1-3H3
InChIKeyNYXAOFNLIWTBFT-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.92
Rot. Bonds10

About 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 107505531) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID107505531
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCCCNC(COC)CN(CC)Cc1ccncc1
InChIInChI=1S/C15H27N3O/c1-4-8-17-15(13-19-3)12-18(5-2)11-14-6-9-16-10-7-14/h6-7,9-10,15,17H,4-5,8,11-13H2,1-3H3
InChIKeyNYXAOFNLIWTBFT-UHFFFAOYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 107505531) is 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CCCNC(COC)CN(CC)Cc1ccncc1.
What is the InChIKey of 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is NYXAOFNLIWTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-17-15(13-19-3)12-18(5-2)11-14-6-9-16-10-7-14/h6-7,9-10,15,17H,4-5,8,11-13H2,1-3H3.
What are the key properties of 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 107505531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).