2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride

C7H17ClFN — CID 122239516

IUPAC2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride
SMILESCNCC(F)CC(C)C.Cl
InChIInChI=1S/C7H16FN.ClH/c1-6(2)4-7(8)5-9-3;/h6-7,9H,4-5H2,1-3H3;1H
InChIKeyOKCYPEFTOGKKMG-UHFFFAOYSA-N
MW169.67 g/mol
LogP2.01
Rot. Bonds4

About 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride

2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride (PubChem CID 122239516) has the molecular formula C7H17ClFN and a molecular weight of 169.67 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride
PubChem CID122239516
Molecular FormulaC7H17ClFN
Molecular Weight169.67 g/mol
Exact Mass169.10
IUPAC Name2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride
SMILESCNCC(F)CC(C)C.Cl
InChIInChI=1S/C7H16FN.ClH/c1-6(2)4-7(8)5-9-3;/h6-7,9H,4-5H2,1-3H3;1H
InChIKeyOKCYPEFTOGKKMG-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride (CID 122239516) is 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride is CNCC(F)CC(C)C.Cl.
What is the InChIKey of 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride?
The InChIKey is OKCYPEFTOGKKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN.ClH/c1-6(2)4-7(8)5-9-3;/h6-7,9H,4-5H2,1-3H3;1H.
What are the key properties of 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride?
2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride has a molecular weight of 169.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 122239516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).