N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

C9H16F3N — CID 106210273

IUPACN-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)(C)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7(2,3)6-13-8(4-5-8)9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyHSRCHLOJMYYJGI-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds2

About N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210273) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210273
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)(C)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7(2,3)6-13-8(4-5-8)9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyHSRCHLOJMYYJGI-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210273) is N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is CC(C)(C)CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is HSRCHLOJMYYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2,3)6-13-8(4-5-8)9(10,11)12/h13H,4-6H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).