N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H17F3N2 — CID 106219256

IUPACN-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CNC1(C(F)(F)F)CC1)C1CNC1
InChIInChI=1S/C10H17F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3
InChIKeyKDNIKHUIADHZDR-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.53
Rot. Bonds4

About N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106219256) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106219256
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CNC1(C(F)(F)F)CC1)C1CNC1
InChIInChI=1S/C10H17F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3
InChIKeyKDNIKHUIADHZDR-UHFFFAOYSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106219256) is N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(CNC1(C(F)(F)F)CC1)C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is KDNIKHUIADHZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106219256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).