3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile

C14H22N4 — CID 79243747

IUPAC3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile
SMILESCCNc1cccc(CN(CC)CC(C)C#N)n1
InChIInChI=1S/C14H22N4/c1-4-16-14-8-6-7-13(17-14)11-18(5-2)10-12(3)9-15/h6-8,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyDTIFSRUYWOCLJY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.49
Rot. Bonds7

About 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile

3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile (PubChem CID 79243747) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile
PubChem CID79243747
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile
SMILESCCNc1cccc(CN(CC)CC(C)C#N)n1
InChIInChI=1S/C14H22N4/c1-4-16-14-8-6-7-13(17-14)11-18(5-2)10-12(3)9-15/h6-8,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyDTIFSRUYWOCLJY-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79233919
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
N-ethyl-N-[(6-hydrazinyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 79480473
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-2-amine
CID 79243357
N-ethyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243292
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
N-ethyl-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 79243084
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
6-[[cyclohexyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79243595
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
N-ethyl-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-2-amine
CID 79243744

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile (CID 79243747) is 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile is CCNc1cccc(CN(CC)CC(C)C#N)n1.
What is the InChIKey of 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile?
The InChIKey is DTIFSRUYWOCLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-16-14-8-6-7-13(17-14)11-18(5-2)10-12(3)9-15/h6-8,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile?
3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[6-(ethylamino)-2-pyridinyl]methyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 79243747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).