1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine

C15H28N4 — CID 79087148

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1c(C)ccnc1N
InChIInChI=1S/C15H28N4/c1-5-17-13(9-11-19(6-2)7-3)14-12(4)8-10-18-15(14)16/h8,10,13,17H,5-7,9,11H2,1-4H3,(H2,16,18)
InChIKeyQTTHWJLCUPLAGJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.35
Rot. Bonds8

About 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine

1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 79087148) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID79087148
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1c(C)ccnc1N
InChIInChI=1S/C15H28N4/c1-5-17-13(9-11-19(6-2)7-3)14-12(4)8-10-18-15(14)16/h8,10,13,17H,5-7,9,11H2,1-4H3,(H2,16,18)
InChIKeyQTTHWJLCUPLAGJ-UHFFFAOYSA-N
XLogP2.35
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
CID 103433692
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262
3-[1-hydrazinyl-2-(2-methylphenyl)ethyl]-4-methylpyridin-2-amine
CID 105208463
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine (CID 79087148) is 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1c(C)ccnc1N.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is QTTHWJLCUPLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-17-13(9-11-19(6-2)7-3)14-12(4)8-10-18-15(14)16/h8,10,13,17H,5-7,9,11H2,1-4H3,(H2,16,18).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 79087148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).