N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO — CID 79359003

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC1(C)C(CNCCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2)10(12(11,3)4)8-17-6-5-7-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyBSZOENWVQPFZRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.23
Rot. Bonds7

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 79359003) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID79359003
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC1(C)C(CNCCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2)10(12(11,3)4)8-17-6-5-7-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyBSZOENWVQPFZRB-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 79359003) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC1(C)C(CNCCCOCC(F)(F)F)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is BSZOENWVQPFZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2)10(12(11,3)4)8-17-6-5-7-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3.
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 79359003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).