N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine

C14H24F3N — CID 114229689

IUPACN-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)CCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-12(2)11(9-18-10-5-6-10)13(12,3)7-4-8-14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyRDOLYUWCVKRJMR-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.13
Rot. Bonds6

About N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine

N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 114229689) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID114229689
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)CCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-12(2)11(9-18-10-5-6-10)13(12,3)7-4-8-14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyRDOLYUWCVKRJMR-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine (CID 114229689) is N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine is CC1(C)C(CNC2CC2)C1(C)CCCC(F)(F)F.
What is the InChIKey of N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is RDOLYUWCVKRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-12(2)11(9-18-10-5-6-10)13(12,3)7-4-8-14(15,16)17/h10-11,18H,4-9H2,1-3H3.
What are the key properties of N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine?
N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 263.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2,3-trimethyl-3-(4,4,4-trifluorobutyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114229689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).