2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine

C14H25N3 — CID 79748096

IUPAC2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1ccc(CC)cn1)CN(C)C
InChIInChI=1S/C14H25N3/c1-5-12-7-8-13(16-10-12)9-14(15-6-2)11-17(3)4/h7-8,10,14-15H,5-6,9,11H2,1-4H3
InChIKeyBDRTYFZMOGWELJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.73
Rot. Bonds7

About 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79748096) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79748096
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNC(Cc1ccc(CC)cn1)CN(C)C
InChIInChI=1S/C14H25N3/c1-5-12-7-8-13(16-10-12)9-14(15-6-2)11-17(3)4/h7-8,10,14-15H,5-6,9,11H2,1-4H3
InChIKeyBDRTYFZMOGWELJ-UHFFFAOYSA-N
XLogP1.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
CID 105168889
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
1-[1-(ethylamino)-2-(5-ethyl-2-pyridinyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79740571
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
2-N-ethyl-1-N,1-N-dimethyl-3-quinolin-2-ylpropane-1,2-diamine
CID 79093692
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 79748096) is 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine is CCNC(Cc1ccc(CC)cn1)CN(C)C.
What is the InChIKey of 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is BDRTYFZMOGWELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-12-7-8-13(16-10-12)9-14(15-6-2)11-17(3)4/h7-8,10,14-15H,5-6,9,11H2,1-4H3.
What are the key properties of 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79748096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).