2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine

C12H20F3N — CID 106210701

IUPAC2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-8-6-10(2,3)7-9(8)16-11(4-5-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyDNWJDDUFBOQAJY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds2

About 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine (PubChem CID 106210701) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine
PubChem CID106210701
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-8-6-10(2,3)7-9(8)16-11(4-5-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyDNWJDDUFBOQAJY-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine (CID 106210701) is 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine is CC1CC(C)(C)CC1NC1(C(F)(F)F)CC1.
What is the InChIKey of 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine?
The InChIKey is DNWJDDUFBOQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8-6-10(2,3)7-9(8)16-11(4-5-11)12(13,14)15/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopentan-1-amine is sourced from PubChem (CID 106210701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).