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

C14H28F3NO — CID 83150372

IUPAC2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)NCC(C)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)13(5,9-18-12(3)4)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyUKFVYMXFWCUIMV-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds9

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

2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83150372) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83150372
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)NCC(C)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)13(5,9-18-12(3)4)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyUKFVYMXFWCUIMV-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151109
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83151326
2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
CID 83151072
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 81033222
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83150372) is 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(C)NCC(C)(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is UKFVYMXFWCUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-11(2)13(5,9-18-12(3)4)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83150372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).