N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H28F3NO — CID 62528148

IUPACN-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C14H28F3NO/c1-4-6-13(10-18-9-12(2)3)7-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyTTYICOXPHZMPPO-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds11

About N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62528148) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62528148
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C14H28F3NO/c1-4-6-13(10-18-9-12(2)3)7-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyTTYICOXPHZMPPO-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.01
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-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62528148) is N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(CCCOCC(F)(F)F)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is TTYICOXPHZMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-6-13(10-18-9-12(2)3)7-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62528148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).