2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C12H25F3N2 — CID 62044491

IUPAC2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN(CCC)CC(F)(F)F)NCC
InChIInChI=1S/C12H25F3N2/c1-4-7-11(16-6-3)9-17(8-5-2)10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyULNUBPFWHHXTEI-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds9

About 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 62044491) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID62044491
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN(CCC)CC(F)(F)F)NCC
InChIInChI=1S/C12H25F3N2/c1-4-7-11(16-6-3)9-17(8-5-2)10-12(13,14)15/h11,16H,4-10H2,1-3H3
InChIKeyULNUBPFWHHXTEI-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64828088
4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
CID 106799639
4-(dipropylamino)-3-(ethylamino)butan-1-ol
CID 64899669
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898163
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 62044491) is 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCC(CN(CCC)CC(F)(F)F)NCC.
What is the InChIKey of 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is ULNUBPFWHHXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-4-7-11(16-6-3)9-17(8-5-2)10-12(13,14)15/h11,16H,4-10H2,1-3H3.
What are the key properties of 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 62044491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).