4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile

C14H22N4 — CID 63883285

IUPAC4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)C(CN(C)C)NCc1ccnc(C#N)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(10-18(3)4)17-9-12-5-6-16-13(7-12)8-15/h5-7,11,14,17H,9-10H2,1-4H3
InChIKeyUVZIXGBXACMRQW-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.63
Rot. Bonds6

About 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile

4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile (PubChem CID 63883285) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
PubChem CID63883285
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)C(CN(C)C)NCc1ccnc(C#N)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(10-18(3)4)17-9-12-5-6-16-13(7-12)8-15/h5-7,11,14,17H,9-10H2,1-4H3
InChIKeyUVZIXGBXACMRQW-UHFFFAOYSA-N
XLogP1.63
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
CID 82715637
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
CID 63889442
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63881345
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile (CID 63883285) is 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile is CC(C)C(CN(C)C)NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The InChIKey is UVZIXGBXACMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)14(10-18(3)4)17-9-12-5-6-16-13(7-12)8-15/h5-7,11,14,17H,9-10H2,1-4H3.
What are the key properties of 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile?
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).