3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile

C16H26N4 — CID 83122845

IUPAC3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
SMILESCCCNC(C)c1ccc(N(CC)CC(C)C#N)cn1
InChIInChI=1S/C16H26N4/c1-5-9-18-14(4)16-8-7-15(11-19-16)20(6-2)12-13(3)10-17/h7-8,11,13-14,18H,5-6,9,12H2,1-4H3
InChIKeyRAVKOCIWIXDZQK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds8

About 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile

3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile (PubChem CID 83122845) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
PubChem CID83122845
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
SMILESCCCNC(C)c1ccc(N(CC)CC(C)C#N)cn1
InChIInChI=1S/C16H26N4/c1-5-9-18-14(4)16-8-7-15(11-19-16)20(6-2)12-13(3)10-17/h7-8,11,13-14,18H,5-6,9,12H2,1-4H3
InChIKeyRAVKOCIWIXDZQK-UHFFFAOYSA-N
XLogP3.13
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122014
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
CID 83127735
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
3-[4-(1-aminoethyl)-N-ethylanilino]-2-methylpropanenitrile
CID 54988524
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
2-[cyclopropyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]ethanol
CID 83122512
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile
CID 80806926
N-methyl-N-(oxolan-3-yl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83127173
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile (CID 83122845) is 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile is CCCNC(C)c1ccc(N(CC)CC(C)C#N)cn1.
What is the InChIKey of 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile?
The InChIKey is RAVKOCIWIXDZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-9-18-14(4)16-8-7-15(11-19-16)20(6-2)12-13(3)10-17/h7-8,11,13-14,18H,5-6,9,12H2,1-4H3.
What are the key properties of 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile?
3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile has a molecular weight of 274.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 83122845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).