3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile

C14H22N4 — CID 62465917

IUPAC3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
SMILESCCNc1ncccc1CN(CCC#N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17)
InChIKeyPGOJSSULWRTHGG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.64
Rot. Bonds7

About 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile

3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile (PubChem CID 62465917) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
PubChem CID62465917
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
SMILESCCNc1ncccc1CN(CCC#N)C(C)C
InChIInChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17)
InChIKeyPGOJSSULWRTHGG-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62464699
N-ethyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]propan-2-amine
CID 62469778
N-ethyl-3-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 62469722
N-(2-cyanoethyl)-3-(ethylamino)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305526
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880764
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile (CID 62465917) is 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile is CCNc1ncccc1CN(CCC#N)C(C)C.
What is the InChIKey of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
The InChIKey is PGOJSSULWRTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-16-14-13(7-5-9-17-14)11-18(12(2)3)10-6-8-15/h5,7,9,12H,4,6,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile?
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 62465917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).