N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

C11H23F3N2 — CID 115520149

IUPACN'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-10(2,3)16-9-5-8-15-7-4-6-11(12,13)14/h15-16H,4-9H2,1-3H3
InChIKeyRSSHXGOXPGUCGZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds7

About N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (PubChem CID 115520149) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
PubChem CID115520149
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-10(2,3)16-9-5-8-15-7-4-6-11(12,13)14/h15-16H,4-9H2,1-3H3
InChIKeyRSSHXGOXPGUCGZ-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine
CID 113410451
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
4,4,4-trifluoro-N-(2-methylsulfanylethyl)butan-1-amine
CID 115513722
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (CID 115520149) is N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is CC(C)(C)NCCCNCCCC(F)(F)F.
What is the InChIKey of N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The InChIKey is RSSHXGOXPGUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-10(2,3)16-9-5-8-15-7-4-6-11(12,13)14/h15-16H,4-9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is sourced from PubChem (CID 115520149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).