N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

C13H27F3N2 — CID 62425905

IUPACN-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCCN(CCCCCNC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-5-18(11-13(14,15)16)10-8-6-7-9-17-12(2,3)4/h17H,5-11H2,1-4H3
InChIKeyVNGAAHHRFIAPRA-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.43
Rot. Bonds8

About N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (PubChem CID 62425905) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
PubChem CID62425905
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC NameN-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCCN(CCCCCNC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-5-18(11-13(14,15)16)10-8-6-7-9-17-12(2,3)4/h17H,5-11H2,1-4H3
InChIKeyVNGAAHHRFIAPRA-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.43
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'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (CID 62425905) is N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is CCN(CCCCCNC(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The InChIKey is VNGAAHHRFIAPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-5-18(11-13(14,15)16)10-8-6-7-9-17-12(2,3)4/h17H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is sourced from PubChem (CID 62425905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).