1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

C13H23N3O — CID 114053900

IUPAC1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ncccc1OC
InChIInChI=1S/C13H23N3O/c1-5-8-14-11(10-16(2)3)13-12(17-4)7-6-9-15-13/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyQDOJMDBMHRZDTF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.69
Rot. Bonds7

About 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 114053900) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID114053900
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ncccc1OC
InChIInChI=1S/C13H23N3O/c1-5-8-14-11(10-16(2)3)13-12(17-4)7-6-9-15-13/h6-7,9,11,14H,5,8,10H2,1-4H3
InChIKeyQDOJMDBMHRZDTF-UHFFFAOYSA-N
XLogP1.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 114054565
3-ethoxy-N-ethyl-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 114054018
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 114053900) is 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)c1ncccc1OC.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is QDOJMDBMHRZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-8-14-11(10-16(2)3)13-12(17-4)7-6-9-15-13/h6-7,9,11,14H,5,8,10H2,1-4H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 114053900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).