N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine

C10H17F3N2 — CID 106209955

IUPACN-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine
SMILESFC(F)(F)C1(NC2CCCNCC2)CC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9(4-5-9)15-8-2-1-6-14-7-3-8/h8,14-15H,1-7H2
InChIKeyBUTBAQBEXNVSLU-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.81
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine

N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine (PubChem CID 106209955) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine
PubChem CID106209955
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine
SMILESFC(F)(F)C1(NC2CCCNCC2)CC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9(4-5-9)15-8-2-1-6-14-7-3-8/h8,14-15H,1-7H2
InChIKeyBUTBAQBEXNVSLU-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine (CID 106209955) is N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine is FC(F)(F)C1(NC2CCCNCC2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine?
The InChIKey is BUTBAQBEXNVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)9(4-5-9)15-8-2-1-6-14-7-3-8/h8,14-15H,1-7H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine?
N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine has a molecular weight of 222.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]azepan-4-amine is sourced from PubChem (CID 106209955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).