N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine

C8H18FN — CID 20811853

IUPACN-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCF
InChIInChI=1S/C8H18FN/c1-8(2)4-6-10(3)7-5-9/h8H,4-7H2,1-3H3
InChIKeyGDCBCHFNBQDIRT-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.93
Rot. Bonds5

About N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine

N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine (PubChem CID 20811853) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
PubChem CID20811853
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCF
InChIInChI=1S/C8H18FN/c1-8(2)4-6-10(3)7-5-9/h8H,4-7H2,1-3H3
InChIKeyGDCBCHFNBQDIRT-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-
CID 69525
Triisobutylamine
CID 14222
N,N,3-Trimethyl-1-butanamine
CID 197760
1-Butanamine, N,N-dibutyl-, hydrofluoride (1:1)
CID 3017185
N-(3-methylbutyl)diethylamine
CID 199672
1-Butanamine, 2-methyl-N,N-bis(2-methylbutyl)-
CID 14298629
Triethylamine, 2-isopropyl-, hydrochloride
CID 199671
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
Flurotributyl amine
CID 24758913
Fluorotributylamine
CID 87204294
1-Propanamine, 2-methyl, N,N-diethyl
CID 524225
N-butyl-N-methyl-2-methyl-1-propanamine
CID 21399986

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine (CID 20811853) is N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is GDCBCHFNBQDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-8(2)4-6-10(3)7-5-9/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine?
N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 20811853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).