2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine

C12H21N3 — CID 106251431

IUPAC2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccccn1
InChIInChI=1S/C12H21N3/c1-3-12(4-2,9-13)10-15-11-7-5-6-8-14-11/h5-8H,3-4,9-10,13H2,1-2H3,(H,14,15)
InChIKeyICPUDOBFNXWGOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.26
Rot. Bonds6

About 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine

2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 106251431) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID106251431
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccccn1
InChIInChI=1S/C12H21N3/c1-3-12(4-2,9-13)10-15-11-7-5-6-8-14-11/h5-8H,3-4,9-10,13H2,1-2H3,(H,14,15)
InChIKeyICPUDOBFNXWGOO-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
N'-pyridin-2-ylmethanediamine
CID 115225472
2-N,2-dimethyl-1-N-pyridin-2-ylpropane-1,2-diamine
CID 115222058
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 114164178
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
N-butylpyridin-2-amine
CID 14322668
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine (CID 106251431) is 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine is CCC(CC)(CN)CNc1ccccn1.
What is the InChIKey of 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is ICPUDOBFNXWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12(4-2,9-13)10-15-11-7-5-6-8-14-11/h5-8H,3-4,9-10,13H2,1-2H3,(H,14,15).
What are the key properties of 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine?
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106251431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).