3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine

C12H21N3O2 — CID 114155004

IUPAC3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
SMILESCCCOc1cccnc1NC(CN)COC
InChIInChI=1S/C12H21N3O2/c1-3-7-17-11-5-4-6-14-12(11)15-10(8-13)9-16-2/h4-6,10H,3,7-9,13H2,1-2H3,(H,14,15)
InChIKeyWTKOREASSBDFRI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.26
Rot. Bonds8

About 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine

3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine (PubChem CID 114155004) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
PubChem CID114155004
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
SMILESCCCOc1cccnc1NC(CN)COC
InChIInChI=1S/C12H21N3O2/c1-3-7-17-11-5-4-6-14-12(11)15-10(8-13)9-16-2/h4-6,10H,3,7-9,13H2,1-2H3,(H,14,15)
InChIKeyWTKOREASSBDFRI-UHFFFAOYSA-N
XLogP1.26
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
CID 106154134
N-(1-methoxypentan-2-yl)-3-propan-2-yloxypyridin-2-amine
CID 113370944
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282963
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine (CID 114155004) is 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine is CCCOc1cccnc1NC(CN)COC.
What is the InChIKey of 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine?
The InChIKey is WTKOREASSBDFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-7-17-11-5-4-6-14-12(11)15-10(8-13)9-16-2/h4-6,10H,3,7-9,13H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine?
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 114155004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).