1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C13H27F3N2 — CID 62568842

IUPAC1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2/c1-6-12(7-2)17-8-11(5)18(10(3)4)9-13(14,15)16/h10-12,17H,6-9H2,1-5H3
InChIKeyQMBUWTFFNBXDRJ-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.43
Rot. Bonds8

About 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62568842) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62568842
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H27F3N2/c1-6-12(7-2)17-8-11(5)18(10(3)4)9-13(14,15)16/h10-12,17H,6-9H2,1-5H3
InChIKeyQMBUWTFFNBXDRJ-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

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Related Compounds

N,N'-Bis(3-pentyl)-ethylenediamine
CID 469903
1-N,1-N-diethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58660081
Diethyl[2-(methylamino)propyl]amine
CID 61740747
Diethyl({2-[(3,3,3-trifluoropropyl)amino]ethyl})amine
CID 60684061
(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 94983103
1-(Dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium
CID 18761674
1,1,5,7,7-Pentameth-yldiethylenetriamine
CID 22770194
N,N,N',N',N'-Pentamethyldiethylenetriamine
CID 61880746
N,N,N',N'',N'''-pentamethyldiethylenetriamine
CID 63693791
N,N',N',N'',N''-pentamethyl-diethylenetriamine
CID 129826423
11,11-Difluoro-1,7-dimethyl-1,4,7-triazacyclotetradecane
CID 20610174
N'-butan-2-yl-N,N'-bis(1,1,2,2,3,3,4-heptafluorobutyl)ethane-1,2-diamine
CID 21026478

Frequently Asked Questions

What is the IUPAC name of 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62568842) is 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCC(CC)NCC(C)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is QMBUWTFFNBXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-6-12(7-2)17-8-11(5)18(10(3)4)9-13(14,15)16/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-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 1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62568842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).