3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine

C15H27N3 — CID 79062287

IUPAC3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
SMILESCCC(CC)(C(Cc1ccncc1)NC)N(C)C
InChIInChI=1S/C15H27N3/c1-6-15(7-2,18(4)5)14(16-3)12-13-8-10-17-11-9-13/h8-11,14,16H,6-7,12H2,1-5H3
InChIKeyIIAPKNMODJSXPK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.33
Rot. Bonds7

About 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine

3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine (PubChem CID 79062287) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
PubChem CID79062287
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
SMILESCCC(CC)(C(Cc1ccncc1)NC)N(C)C
InChIInChI=1S/C15H27N3/c1-6-15(7-2,18(4)5)14(16-3)12-13-8-10-17-11-9-13/h8-11,14,16H,6-7,12H2,1-5H3
InChIKeyIIAPKNMODJSXPK-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062650
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
1-(3-bromo-4-fluorophenyl)-3-ethyl-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062520
(3-ethyl-3-phenyl-1-pyridin-4-ylpentan-2-yl)hydrazine
CID 105217752
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
CID 79062379
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063641
1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
CID 104803000
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058869
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine (CID 79062287) is 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The canonical SMILES for 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine is CCC(CC)(C(Cc1ccncc1)NC)N(C)C.
What is the InChIKey of 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The InChIKey is IIAPKNMODJSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-15(7-2,18(4)5)14(16-3)12-13-8-10-17-11-9-13/h8-11,14,16H,6-7,12H2,1-5H3.
What are the key properties of 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine?
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine is sourced from PubChem (CID 79062287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).