2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C14H26F3NO — CID 83159894

IUPAC2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(C)(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)8-18-9-13(3,12-4-5-12)6-7-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPFFPZDUEAWIULR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds9

About 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 83159894) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID83159894
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(C)(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)8-18-9-13(3,12-4-5-12)6-7-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPFFPZDUEAWIULR-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
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 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 83159894) is 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)CNCC(C)(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is PFFPZDUEAWIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2)8-18-9-13(3,12-4-5-12)6-7-19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 83159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).