N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine

C9H16F3N — CID 106523445

IUPACN-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13-5-7-4-8(7,3)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeySLEYOAXCCOKUFQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds3

About N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine

N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 106523445) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID106523445
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6(2)13-5-7-4-8(7,3)9(10,11)12/h6-7,13H,4-5H2,1-3H3
InChIKeySLEYOAXCCOKUFQ-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine (CID 106523445) is N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1(C)C(F)(F)F.
What is the InChIKey of N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is SLEYOAXCCOKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)13-5-7-4-8(7,3)9(10,11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine?
N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 106523445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).