2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine

C15H27N3 — CID 114079872

IUPAC2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CC)(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-4-10-15(5-2,13-16)18(3)12-9-14-8-6-7-11-17-14/h6-8,11H,4-5,9-10,12-13,16H2,1-3H3
InChIKeyIMTKLXHWCIUKOC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.46
Rot. Bonds8

About 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (PubChem CID 114079872) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
PubChem CID114079872
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CC)(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-4-10-15(5-2,13-16)18(3)12-9-14-8-6-7-11-17-14/h6-8,11H,4-5,9-10,12-13,16H2,1-3H3
InChIKeyIMTKLXHWCIUKOC-UHFFFAOYSA-N
XLogP2.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
N',2,2-trimethyl-N'-(2-pyridin-2-ylethyl)hexane-1,6-diamine
CID 106707873
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
1-amino-2-methyl-5-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 64819411
1-butyl-1-(2-pyridin-2-ylethyl)hydrazine
CID 89336624
N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 63761672
2-(4,4-dimethylhexyl)pyridine
CID 57111041
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
CID 62698957
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (CID 114079872) is 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is CCCC(CC)(CN)N(C)CCc1ccccn1.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The InChIKey is IMTKLXHWCIUKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-10-15(5-2,13-16)18(3)12-9-14-8-6-7-11-17-14/h6-8,11H,4-5,9-10,12-13,16H2,1-3H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 114079872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).