N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

C11H23F3N2O — CID 103208163

IUPACN'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCC(C)NCCCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2)16-7-3-5-15-6-4-8-17-9-11(12,13)14/h10,15-16H,3-9H2,1-2H3
InChIKeyIRHQTIJBTMFWSI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.93
Rot. Bonds10

About N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 103208163) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID103208163
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC NameN'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCC(C)NCCCNCCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2)16-7-3-5-15-6-4-8-17-9-11(12,13)14/h10,15-16H,3-9H2,1-2H3
InChIKeyIRHQTIJBTMFWSI-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
1-[3-[3-(propan-2-ylamino)propoxy]propylamino]propane-2-thiol
CID 167242562
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 103208163) is N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is CC(C)NCCCNCCCOCC(F)(F)F.
What is the InChIKey of N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is IRHQTIJBTMFWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-10(2)16-7-3-5-15-6-4-8-17-9-11(12,13)14/h10,15-16H,3-9H2,1-2H3.
What are the key properties of N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 103208163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).