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

C13H28FN — CID 134171503

IUPACN-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCCCCN(CCF)CCCC(C)(C)C
InChIInChI=1S/C13H28FN/c1-5-6-10-15(12-9-14)11-7-8-13(2,3)4/h5-12H2,1-4H3
InChIKeyNRVBALDSKXPNOT-UHFFFAOYSA-N
MW217.37 g/mol
LogP3.88
Rot. Bonds8

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

N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine (PubChem CID 134171503) has the molecular formula C13H28FN and a molecular weight of 217.37 g/mol. Its IUPAC name is N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
PubChem CID134171503
Molecular FormulaC13H28FN
Molecular Weight217.37 g/mol
Exact Mass217.22
IUPAC NameN-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine
SMILESCCCCN(CCF)CCCC(C)(C)C
InChIInChI=1S/C13H28FN/c1-5-6-10-15(12-9-14)11-7-8-13(2,3)4/h5-12H2,1-4H3
InChIKeyNRVBALDSKXPNOT-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine (CID 134171503) is N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine is CCCCN(CCF)CCCC(C)(C)C.
What is the InChIKey of N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
The InChIKey is NRVBALDSKXPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FN/c1-5-6-10-15(12-9-14)11-7-8-13(2,3)4/h5-12H2,1-4H3.
What are the key properties of N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine?
N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine has a molecular weight of 217.37 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-fluoroethyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 134171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).