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

C15H27N3 — CID 55051379

IUPAC2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-5-15(2,12-16-3)13-18(4)11-9-14-8-6-7-10-17-14/h6-8,10,16H,5,9,11-13H2,1-4H3
InChIKeyLNKBZJYGTNMTQC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.19
Rot. Bonds8

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

2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 55051379) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID55051379
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC)CN(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-5-15(2,12-16-3)13-18(4)11-9-14-8-6-7-10-17-14/h6-8,10,16H,5,9,11-13H2,1-4H3
InChIKeyLNKBZJYGTNMTQC-UHFFFAOYSA-N
XLogP2.19
TPSA28.16 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine with MolForge

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Related Compounds

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
2-methyl-2-(methylamino)-6-[methyl(2-pyridin-2-ylethyl)amino]hexan-1-ol
CID 64796903
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 55051379) is 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is CCC(C)(CNC)CN(C)CCc1ccccn1.
What is the InChIKey of 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is LNKBZJYGTNMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(2,12-16-3)13-18(4)11-9-14-8-6-7-10-17-14/h6-8,10,16H,5,9,11-13H2,1-4H3.
What are the key properties of 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 55051379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).