N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H23F3N2 — CID 62426982

IUPACN'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CCCNCC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-16(9-11(12,13)14)7-5-6-15-8-10(2)3/h10,15H,4-9H2,1-3H3
InChIKeyYIJWMCALTCPPFA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.51
Rot. Bonds8

About N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62426982) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62426982
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CCCNCC(C)C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-16(9-11(12,13)14)7-5-6-15-8-10(2)3/h10,15H,4-9H2,1-3H3
InChIKeyYIJWMCALTCPPFA-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.51
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-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62426193
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62426982) is N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CCCNCC(C)C)CC(F)(F)F.
What is the InChIKey of N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is YIJWMCALTCPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-16(9-11(12,13)14)7-5-6-15-8-10(2)3/h10,15H,4-9H2,1-3H3.
What are the key properties of N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62426982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).