N-(2-fluoroethyl)-2-methylbutan-2-amine

C7H16FN — CID 80611891

IUPACN-(2-fluoroethyl)-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCF
InChIInChI=1S/C7H16FN/c1-4-7(2,3)9-6-5-8/h9H,4-6H2,1-3H3
InChIKeyTXIIRNRBTROKAD-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.73
Rot. Bonds4

About N-(2-fluoroethyl)-2-methylbutan-2-amine

N-(2-fluoroethyl)-2-methylbutan-2-amine (PubChem CID 80611891) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methylbutan-2-amine
PubChem CID80611891
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC NameN-(2-fluoroethyl)-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCF
InChIInChI=1S/C7H16FN/c1-4-7(2,3)9-6-5-8/h9H,4-6H2,1-3H3
InChIKeyTXIIRNRBTROKAD-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-fluoroethyl)-2-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(18F)fluoroethyl)-2-methylpropan-2-amine
CID 166005414
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
2-methyl-N-(3-methylbutyl)butan-2-amine
CID 27708809
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 60915670
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
1,1,1-trichloro-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 165445160
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
2-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butan-2-amine
CID 107757784

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methylbutan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methylbutan-2-amine (CID 80611891) is N-(2-fluoroethyl)-2-methylbutan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methylbutan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methylbutan-2-amine is CCC(C)(C)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methylbutan-2-amine?
The InChIKey is TXIIRNRBTROKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-4-7(2,3)9-6-5-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-2-methylbutan-2-amine?
N-(2-fluoroethyl)-2-methylbutan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methylbutan-2-amine is sourced from PubChem (CID 80611891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).