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

C12H25F3N2 — CID 62256691

IUPACN-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-5-7-11(3,8-16-6-2)9-17(4)10-12(13,14)15/h16H,5-10H2,1-4H3
InChIKeyQYCZDMSGTZZRQA-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.90
Rot. Bonds8

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

N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256691) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256691
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-5-7-11(3,8-16-6-2)9-17(4)10-12(13,14)15/h16H,5-10H2,1-4H3
InChIKeyQYCZDMSGTZZRQA-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256691) is N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCC(C)(CNCC)CN(C)CC(F)(F)F.
What is the InChIKey of N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is QYCZDMSGTZZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-7-11(3,8-16-6-2)9-17(4)10-12(13,14)15/h16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.90, 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-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).