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

C14H25F3N2 — CID 62256737

IUPACN,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H25F3N2/c1-3-13(2,8-18-11-4-5-11)9-19(12-6-7-12)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeySAODARPSEMBZRK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds8

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

N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256737) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256737
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H25F3N2/c1-3-13(2,8-18-11-4-5-11)9-19(12-6-7-12)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeySAODARPSEMBZRK-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256737) is N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCC(C)(CNC1CC1)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is SAODARPSEMBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-3-13(2,8-18-11-4-5-11)9-19(12-6-7-12)10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).