2-fluoro-2,4-dimethyl-N-propylpentan-3-amine

C10H22FN — CID 166678666

IUPAC2-fluoro-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)(C)F
InChIInChI=1S/C10H22FN/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,12H,6-7H2,1-5H3
InChIKeyFYBNXMYYQYMHMA-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.76
Rot. Bonds5

About 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine

2-fluoro-2,4-dimethyl-N-propylpentan-3-amine (PubChem CID 166678666) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-fluoro-2,4-dimethyl-N-propylpentan-3-amine
PubChem CID166678666
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name2-fluoro-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)(C)F
InChIInChI=1S/C10H22FN/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,12H,6-7H2,1-5H3
InChIKeyFYBNXMYYQYMHMA-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine (CID 166678666) is 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)(C)F.
What is the InChIKey of 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is FYBNXMYYQYMHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine?
2-fluoro-2,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 175.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 166678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).