2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

C13H23N3 — CID 115251756

IUPAC2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1cccnc1
InChIInChI=1S/C13H23N3/c1-3-12(9-14)11-16(2)8-6-13-5-4-7-15-10-13/h4-5,7,10,12H,3,6,8-9,11,14H2,1-2H3
InChIKeyBCIXXZBFQWXALR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.54
Rot. Bonds7

About 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (PubChem CID 115251756) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
PubChem CID115251756
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1cccnc1
InChIInChI=1S/C13H23N3/c1-3-12(9-14)11-16(2)8-6-13-5-4-7-15-10-13/h4-5,7,10,12H,3,6,8-9,11,14H2,1-2H3
InChIKeyBCIXXZBFQWXALR-UHFFFAOYSA-N
XLogP1.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
CID 115220133
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251716
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
1-pyridin-3-ylhexan-3-amine
CID 64506028

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (CID 115251756) is 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is CCC(CN)CN(C)CCc1cccnc1.
What is the InChIKey of 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The InChIKey is BCIXXZBFQWXALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12(9-14)11-16(2)8-6-13-5-4-7-15-10-13/h4-5,7,10,12H,3,6,8-9,11,14H2,1-2H3.
What are the key properties of 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 115251756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).