N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine

C14H25N3O2 — CID 103172082

IUPACN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(Cc1nccc(OC)c1OC)CC(C)CN
InChIInChI=1S/C14H25N3O2/c1-5-17(9-11(2)8-15)10-12-14(19-4)13(18-3)6-7-16-12/h6-7,11H,5,8-10,15H2,1-4H3
InChIKeyLBZHBQOHJXSSPR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.52
Rot. Bonds8

About N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine

N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine (PubChem CID 103172082) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
PubChem CID103172082
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(Cc1nccc(OC)c1OC)CC(C)CN
InChIInChI=1S/C14H25N3O2/c1-5-17(9-11(2)8-15)10-12-14(19-4)13(18-3)6-7-16-12/h6-7,11H,5,8-10,15H2,1-4H3
InChIKeyLBZHBQOHJXSSPR-UHFFFAOYSA-N
XLogP1.52
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 103173261
1-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 103173833
3-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]propanoic acid
CID 103173485
2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
CID 103172092
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
N-(2-chloroethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]butan-1-amine
CID 103173931
3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
CID 82576762
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]butanenitrile
CID 103172838
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 103173812
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine (CID 103172082) is N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine is CCN(Cc1nccc(OC)c1OC)CC(C)CN.
What is the InChIKey of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The InChIKey is LBZHBQOHJXSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-17(9-11(2)8-15)10-12-14(19-4)13(18-3)6-7-16-12/h6-7,11H,5,8-10,15H2,1-4H3.
What are the key properties of N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine has a molecular weight of 267.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 103172082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).