5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile

C10H19FN2 — CID 115732911

IUPAC5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCCF
InChIInChI=1S/C10H19FN2/c1-10(2,5-3-7-12)9-13-8-4-6-11/h13H,3-6,8-9H2,1-2H3
InChIKeyCLOHVNIXXGBPKP-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.27
Rot. Bonds7

About 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile

5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile (PubChem CID 115732911) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile
PubChem CID115732911
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCCF
InChIInChI=1S/C10H19FN2/c1-10(2,5-3-7-12)9-13-8-4-6-11/h13H,3-6,8-9H2,1-2H3
InChIKeyCLOHVNIXXGBPKP-UHFFFAOYSA-N
XLogP2.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile (CID 115732911) is 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCCCF.
What is the InChIKey of 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile?
The InChIKey is CLOHVNIXXGBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-10(2,5-3-7-12)9-13-8-4-6-11/h13H,3-6,8-9H2,1-2H3.
What are the key properties of 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile?
5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile has a molecular weight of 186.27 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115732911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).