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

C13H26F3NO — CID 55083200

IUPACN-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-4-6-12(9-17-11(2)3)7-5-8-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyHMWXRPZWQUAPCA-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

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

N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 55083200) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID55083200
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-4-6-12(9-17-11(2)3)7-5-8-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyHMWXRPZWQUAPCA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
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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Related Compounds

N-Cyclohexyl-4-[(2,2,2-trifluoroethoxy)methyl]cyclohexan-1-amine
CID 67483668
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
3-(Difluoromethoxymethyl)-2-propan-2-ylpiperidine
CID 170771809
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173861161
N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748976
N-ethyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
CID 54961719
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961769

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 55083200) is N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(CCCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is HMWXRPZWQUAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-6-12(9-17-11(2)3)7-5-8-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 55083200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).