2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile

C10H19FN2 — CID 134315596

IUPAC2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile
SMILESCCC(C)(F)CCN(C)C(C)C#N
InChIInChI=1S/C10H19FN2/c1-5-10(3,11)6-7-13(4)9(2)8-12/h9H,5-7H2,1-4H3
InChIKeyAXNADMQWBTVOCD-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.36
Rot. Bonds5

About 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile

2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile (PubChem CID 134315596) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile
PubChem CID134315596
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile
SMILESCCC(C)(F)CCN(C)C(C)C#N
InChIInChI=1S/C10H19FN2/c1-5-10(3,11)6-7-13(4)9(2)8-12/h9H,5-7H2,1-4H3
InChIKeyAXNADMQWBTVOCD-UHFFFAOYSA-N
XLogP2.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile?
The IUPAC name of 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile (CID 134315596) is 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile.
What is the SMILES notation for 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile?
The canonical SMILES for 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile is CCC(C)(F)CCN(C)C(C)C#N.
What is the InChIKey of 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile?
The InChIKey is AXNADMQWBTVOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-5-10(3,11)6-7-13(4)9(2)8-12/h9H,5-7H2,1-4H3.
What are the key properties of 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile?
2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile has a molecular weight of 186.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylpentyl)-methylamino]propanenitrile is sourced from PubChem (CID 134315596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).