5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine

C20H40FN — CID 123810864

IUPAC5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine
SMILESCCCC(CNCC(C)(F)CC)CC(C)(C)CC1CCCC1
InChIInChI=1S/C20H40FN/c1-6-10-18(15-22-16-20(5,21)7-2)14-19(3,4)13-17-11-8-9-12-17/h17-18,22H,6-16H2,1-5H3
InChIKeyLXGGPYBLKVHGNG-UHFFFAOYSA-N
MW313.55 g/mol
LogP6.13
Rot. Bonds11

About 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine

5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine (PubChem CID 123810864) has the molecular formula C20H40FN and a molecular weight of 313.55 g/mol. Its IUPAC name is 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine
PubChem CID123810864
Molecular FormulaC20H40FN
Molecular Weight313.55 g/mol
Exact Mass313.31
IUPAC Name5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine
SMILESCCCC(CNCC(C)(F)CC)CC(C)(C)CC1CCCC1
InChIInChI=1S/C20H40FN/c1-6-10-18(15-22-16-20(5,21)7-2)14-19(3,4)13-17-11-8-9-12-17/h17-18,22H,6-16H2,1-5H3
InChIKeyLXGGPYBLKVHGNG-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine?
The IUPAC name of 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine (CID 123810864) is 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine.
What is the SMILES notation for 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine?
The canonical SMILES for 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine is CCCC(CNCC(C)(F)CC)CC(C)(C)CC1CCCC1.
What is the InChIKey of 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine?
The InChIKey is LXGGPYBLKVHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FN/c1-6-10-18(15-22-16-20(5,21)7-2)14-19(3,4)13-17-11-8-9-12-17/h17-18,22H,6-16H2,1-5H3.
What are the key properties of 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine?
5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine has a molecular weight of 313.55 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(2-fluoro-2-methylbutyl)-4,4-dimethyl-2-propylpentan-1-amine is sourced from PubChem (CID 123810864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).