N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine

C12H21N3O — CID 106660920

IUPACN-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1cc(C)ncc1OC
InChIInChI=1S/C12H21N3O/c1-9(6-13-3)7-15-11-5-10(2)14-8-12(11)16-4/h5,8-9,13H,6-7H2,1-4H3,(H,14,15)
InChIKeyOHQKTFBLCAFDIJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.67
Rot. Bonds6

About N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine

N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 106660920) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID106660920
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1cc(C)ncc1OC
InChIInChI=1S/C12H21N3O/c1-9(6-13-3)7-15-11-5-10(2)14-8-12(11)16-4/h5,8-9,13H,6-7H2,1-4H3,(H,14,15)
InChIKeyOHQKTFBLCAFDIJ-UHFFFAOYSA-N
XLogP1.67
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-4-amine
CID 106660523
1-[(5-methoxy-2-methyl-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153290
2-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-phenylethanol
CID 106660277
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453
N-(5-methoxy-2-methyl-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 106660217
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
5-methoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 106660460
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
N'-ethyl-N-(5-methoxy-2-methyl-4-pyridinyl)-N'-methylethane-1,2-diamine
CID 106660479
N-(2,5-dimethylpyrrol-1-yl)-5-methoxy-2-methylpyridin-4-amine
CID 106660589
5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 106660447

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine (CID 106660920) is N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine is CNCC(C)CNc1cc(C)ncc1OC.
What is the InChIKey of N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is OHQKTFBLCAFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(6-13-3)7-15-11-5-10(2)14-8-12(11)16-4/h5,8-9,13H,6-7H2,1-4H3,(H,14,15).
What are the key properties of N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106660920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).