N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 114110401

IUPACN-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-2-5-9-8-12(9)17-11-7-4-3-6-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQVARTIYXRAPAID-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.89
Rot. Bonds4

About N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114110401) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114110401
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-2-5-9-8-12(9)17-11-7-4-3-6-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQVARTIYXRAPAID-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 114110401) is N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine is CCCC1CC1NC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QVARTIYXRAPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-2-5-9-8-12(9)17-11-7-4-3-6-10(11)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114110401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).