1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide

C13H23F3N2O — CID 161173156

IUPAC1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide
SMILESCNCC1CCC1.O=C(NCC1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.C6H13N/c8-7(9,10)6(12)11-4-5-2-1-3-5;1-7-5-6-3-2-4-6/h5H,1-4H2,(H,11,12);6-7H,2-5H2,1H3
InChIKeyURLKUGZQDITGHF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds4

About 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide

1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 161173156) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide
PubChem CID161173156
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide
SMILESCNCC1CCC1.O=C(NCC1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.C6H13N/c8-7(9,10)6(12)11-4-5-2-1-3-5;1-7-5-6-3-2-4-6/h5H,1-4H2,(H,11,12);6-7H,2-5H2,1H3
InChIKeyURLKUGZQDITGHF-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide (CID 161173156) is 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide is CNCC1CCC1.O=C(NCC1CCC1)C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is URLKUGZQDITGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.C6H13N/c8-7(9,10)6(12)11-4-5-2-1-3-5;1-7-5-6-3-2-4-6/h5H,1-4H2,(H,11,12);6-7H,2-5H2,1H3.
What are the key properties of 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide?
1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 161173156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).