N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine

C9H20FN — CID 129033932

IUPACN-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCCF
InChIInChI=1S/C9H20FN/c1-9(2,3)5-4-7-11-8-6-10/h11H,4-8H2,1-3H3
InChIKeyJYWISQXURDOFFE-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.37
Rot. Bonds5

About N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine

N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine (PubChem CID 129033932) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
PubChem CID129033932
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC NameN-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCCF
InChIInChI=1S/C9H20FN/c1-9(2,3)5-4-7-11-8-6-10/h11H,4-8H2,1-3H3
InChIKeyJYWISQXURDOFFE-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl(2,4,4-trimethylpentan-2-yl)amine
CID 10630769
4-Methyl-N-(4-methylpentyl)-1-pentanamine
CID 575039
N-(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
CID 20448447
5-Trimethylhexylamine
CID 123139671
N-ethyl-6-methyl-6-fluoroheptane amine
CID 9877517
1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
CID 22349072
1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine
CID 22359924
N-(fluoromethyl)-2-methylpentan-1-amine
CID 22637648
2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 43200466
(3R)-4-(2,2-dimethylpropyl)-3-fluoropiperidine
CID 58286790
4-Tert-butyl-3-fluoropiperidine
CID 58286853
(3R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473034

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine (CID 129033932) is N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The InChIKey is JYWISQXURDOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-9(2,3)5-4-7-11-8-6-10/h11H,4-8H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 129033932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).