N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine

C16H30N4 — CID 102996891

IUPACN,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)Cc1cccnc1NC
InChIInChI=1S/C16H30N4/c1-5-19(6-2)12-9-13-20(7-3)14-15-10-8-11-18-16(15)17-4/h8,10-11H,5-7,9,12-14H2,1-4H3,(H,17,18)
InChIKeyWAIQBJAQUGNVLB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.68
Rot. Bonds10

About N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine (PubChem CID 102996891) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
PubChem CID102996891
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)Cc1cccnc1NC
InChIInChI=1S/C16H30N4/c1-5-19(6-2)12-9-13-20(7-3)14-15-10-8-11-18-16(15)17-4/h8,10-11H,5-7,9,12-14H2,1-4H3,(H,17,18)
InChIKeyWAIQBJAQUGNVLB-UHFFFAOYSA-N
XLogP2.68
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
N-butyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]butan-1-amine
CID 62470497
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine (CID 102996891) is N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine is CCN(CC)CCCN(CC)Cc1cccnc1NC.
What is the InChIKey of N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine?
The InChIKey is WAIQBJAQUGNVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-19(6-2)12-9-13-20(7-3)14-15-10-8-11-18-16(15)17-4/h8,10-11H,5-7,9,12-14H2,1-4H3,(H,17,18).
What are the key properties of N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102996891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).