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

C15H27N3 — CID 43187234

IUPAC3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-4-13(5-2)15(12-16)18(3)11-9-14-8-6-7-10-17-14/h6-8,10,13,15H,4-5,9,11-12,16H2,1-3H3
InChIKeyVKYRGQZLOUASEU-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.32
Rot. Bonds8

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

3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (PubChem CID 43187234) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
PubChem CID43187234
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-4-13(5-2)15(12-16)18(3)11-9-14-8-6-7-10-17-14/h6-8,10,13,15H,4-5,9,11-12,16H2,1-3H3
InChIKeyVKYRGQZLOUASEU-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-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

ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
1-(2-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43187219
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
CID 76915553
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
4-amino-N,N-diethyl-3-[methyl(2-pyridin-2-ylethyl)amino]butanamide
CID 66430451
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (CID 43187234) is 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is CCC(CC)C(CN)N(C)CCc1ccccn1.
What is the InChIKey of 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The InChIKey is VKYRGQZLOUASEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-13(5-2)15(12-16)18(3)11-9-14-8-6-7-10-17-14/h6-8,10,13,15H,4-5,9,11-12,16H2,1-3H3.
What are the key properties of 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
3-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 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 43187234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).