1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine

C8H17FN2 — CID 131227225

IUPAC1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine
SMILESCN(CCF)C1(CN)CCC1
InChIInChI=1S/C8H17FN2/c1-11(6-5-9)8(7-10)3-2-4-8/h2-7,10H2,1H3
InChIKeyMZYOYUFHAQDNGY-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds4

About 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine

1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine (PubChem CID 131227225) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine
PubChem CID131227225
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine
SMILESCN(CCF)C1(CN)CCC1
InChIInChI=1S/C8H17FN2/c1-11(6-5-9)8(7-10)3-2-4-8/h2-7,10H2,1H3
InChIKeyMZYOYUFHAQDNGY-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine (CID 131227225) is 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine is CN(CCF)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine?
The InChIKey is MZYOYUFHAQDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-11(6-5-9)8(7-10)3-2-4-8/h2-7,10H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine?
1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-fluoroethyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 131227225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).