2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C10H19F3N2 — CID 80997965

IUPAC2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCC1CN
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(9)6-14/h8-9H,2-7,14H2,1H3
InChIKeyYDOVJPLIZQYATK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds5

About 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 80997965) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID80997965
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCCCN(CC(F)(F)F)C1CCC1CN
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(9)6-14/h8-9H,2-7,14H2,1H3
InChIKeyYDOVJPLIZQYATK-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
2-[[2-(aminomethyl)cyclopentyl]-propylamino]ethanol
CID 61424719
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068320
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 60891551
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
CID 61424769
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 80997965) is 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is CCCN(CC(F)(F)F)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is YDOVJPLIZQYATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(9)6-14/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 80997965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).