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

C13H23N3 — CID 115255161

IUPAC2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(CNC)CNCCc1ccccn1
InChIInChI=1S/C13H23N3/c1-3-12(10-14-2)11-15-9-7-13-6-4-5-8-16-13/h4-6,8,12,14-15H,3,7,9-11H2,1-2H3
InChIKeySONDWEPNBWFSFN-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.46
Rot. Bonds8

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

2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 115255161) 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-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID115255161
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(CNC)CNCCc1ccccn1
InChIInChI=1S/C13H23N3/c1-3-12(10-14-2)11-15-9-7-13-6-4-5-8-16-13/h4-6,8,12,14-15H,3,7,9-11H2,1-2H3
InChIKeySONDWEPNBWFSFN-UHFFFAOYSA-N
XLogP1.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
CID 116931877
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
CID 163322530
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 115255161) is 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is CCC(CNC)CNCCc1ccccn1.
What is the InChIKey of 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is SONDWEPNBWFSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12(10-14-2)11-15-9-7-13-6-4-5-8-16-13/h4-6,8,12,14-15H,3,7,9-11H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 115255161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).