N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine

C9H16F3N — CID 155346495

IUPACN-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7(2)13-6-5-8(3-4-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyHMZKWSIQPTXJNK-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine

N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine (PubChem CID 155346495) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
PubChem CID155346495
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
SMILESCC(C)NCCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3N/c1-7(2)13-6-5-8(3-4-8)9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyHMZKWSIQPTXJNK-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine (CID 155346495) is N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine is CC(C)NCCC1(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine?
The InChIKey is HMZKWSIQPTXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2)13-6-5-8(3-4-8)9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine?
N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine is sourced from PubChem (CID 155346495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).