6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile

C12H18N4 — CID 79651991

IUPAC6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile
SMILESCN(CC(C)(C)CN)c1cccc(C#N)n1
InChIInChI=1S/C12H18N4/c1-12(2,8-14)9-16(3)11-6-4-5-10(7-13)15-11/h4-6H,8-9,14H2,1-3H3
InChIKeyBULSJNWAAHBIEC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.37
Rot. Bonds4

About 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile

6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile (PubChem CID 79651991) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile
PubChem CID79651991
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile
SMILESCN(CC(C)(C)CN)c1cccc(C#N)n1
InChIInChI=1S/C12H18N4/c1-12(2,8-14)9-16(3)11-6-4-5-10(7-13)15-11/h4-6H,8-9,14H2,1-3H3
InChIKeyBULSJNWAAHBIEC-UHFFFAOYSA-N
XLogP1.37
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile (CID 79651991) is 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile is CN(CC(C)(C)CN)c1cccc(C#N)n1.
What is the InChIKey of 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile?
The InChIKey is BULSJNWAAHBIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-12(2,8-14)9-16(3)11-6-4-5-10(7-13)15-11/h4-6H,8-9,14H2,1-3H3.
What are the key properties of 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile?
6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2-dimethylpropyl)-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79651991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).