N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

C16H30N4 — CID 102991359

IUPACN'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1nc(C)ccc1CN
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-15(13-17)10-9-14(4)18-16/h9-10H,5-8,11-13,17H2,1-4H3
InChIKeyZDICOWWJINPBPD-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds9

About N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102991359) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102991359
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1nc(C)ccc1CN
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-15(13-17)10-9-14(4)18-16/h9-10H,5-8,11-13,17H2,1-4H3
InChIKeyZDICOWWJINPBPD-UHFFFAOYSA-N
XLogP2.41
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
CID 102991165
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991366
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
4-(aminomethyl)-N-butyl-N-ethylpyridazin-3-amine
CID 80507569
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
N'-[4-(2-aminoethyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998280
3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
CID 107733645
3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112657243
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
N'-[2-(aminomethyl)-3-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991383

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102991359) is N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)c1nc(C)ccc1CN.
What is the InChIKey of N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is ZDICOWWJINPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-15(13-17)10-9-14(4)18-16/h9-10H,5-8,11-13,17H2,1-4H3.
What are the key properties of N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).