1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine

C10H19F3N2 — CID 115520144

IUPAC1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
SMILESNC1(CNCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h15H,1-8,14H2
InChIKeyCMHWMQJSBPRUJB-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.19
Rot. Bonds5

About 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine

1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine (PubChem CID 115520144) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
PubChem CID115520144
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine
SMILESNC1(CNCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h15H,1-8,14H2
InChIKeyCMHWMQJSBPRUJB-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine (CID 115520144) is 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine is NC1(CNCCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine?
The InChIKey is CMHWMQJSBPRUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h15H,1-8,14H2.
What are the key properties of 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine?
1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4,4-trifluorobutylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 115520144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).