(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile

C10H14N4 — CID 130671808

IUPAC(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile
SMILESCN(C)c1ncccc1[C@H](N)CC#N
InChIInChI=1S/C10H14N4/c1-14(2)10-8(4-3-7-13-10)9(12)5-6-11/h3-4,7,9H,5,12H2,1-2H3/t9-/m1/s1
InChIKeyXDCWXJZSLHLFRI-SECBINFHSA-N
MW190.25 g/mol
LogP1.06
Rot. Bonds3

About (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile

(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile (PubChem CID 130671808) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile
PubChem CID130671808
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile
SMILESCN(C)c1ncccc1[C@H](N)CC#N
InChIInChI=1S/C10H14N4/c1-14(2)10-8(4-3-7-13-10)9(12)5-6-11/h3-4,7,9H,5,12H2,1-2H3/t9-/m1/s1
InChIKeyXDCWXJZSLHLFRI-SECBINFHSA-N
XLogP1.06
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile?
The IUPAC name of (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile (CID 130671808) is (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile?
The canonical SMILES for (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile is CN(C)c1ncccc1[C@H](N)CC#N.
What is the InChIKey of (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile?
The InChIKey is XDCWXJZSLHLFRI-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N4/c1-14(2)10-8(4-3-7-13-10)9(12)5-6-11/h3-4,7,9H,5,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile?
(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile is sourced from PubChem (CID 130671808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).