2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile

C14H22N4 — CID 79662269

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
SMILESCCCN(CC(C)(C)CN)c1ncccc1C#N
InChIInChI=1S/C14H22N4/c1-4-8-18(11-14(2,3)10-16)13-12(9-15)6-5-7-17-13/h5-7H,4,8,10-11,16H2,1-3H3
InChIKeyLZVWKKHELMCICC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.15
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile

2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile (PubChem CID 79662269) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
PubChem CID79662269
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
SMILESCCCN(CC(C)(C)CN)c1ncccc1C#N
InChIInChI=1S/C14H22N4/c1-4-8-18(11-14(2,3)10-16)13-12(9-15)6-5-7-17-13/h5-7H,4,8,10-11,16H2,1-3H3
InChIKeyLZVWKKHELMCICC-UHFFFAOYSA-N
XLogP2.15
TPSA65.94 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile (CID 79662269) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile is CCCN(CC(C)(C)CN)c1ncccc1C#N.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile?
The InChIKey is LZVWKKHELMCICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-8-18(11-14(2,3)10-16)13-12(9-15)6-5-7-17-13/h5-7H,4,8,10-11,16H2,1-3H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 79662269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).