N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

C12H21F3N2 — CID 114158626

IUPACN-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CC1CCCCN1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-9(8-10-4-2-3-7-16-10)17-11(5-6-11)12(13,14)15/h9-10,16-17H,2-8H2,1H3
InChIKeyIITLBCADQYIXJL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.59
Rot. Bonds4

About N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158626) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158626
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CC1CCCCN1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-9(8-10-4-2-3-7-16-10)17-11(5-6-11)12(13,14)15/h9-10,16-17H,2-8H2,1H3
InChIKeyIITLBCADQYIXJL-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158626) is N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is CC(CC1CCCCN1)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is IITLBCADQYIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9(8-10-4-2-3-7-16-10)17-11(5-6-11)12(13,14)15/h9-10,16-17H,2-8H2,1H3.
What are the key properties of N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).