1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine

C12H23F3N2 — CID 79408928

IUPAC1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCN(CC(F)(F)F)C(C)C(C)CNC1CC1
InChIInChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)10(3)9(2)7-16-11-5-6-11/h9-11,16H,4-8H2,1-3H3
InChIKeyPRQKIZNKORHSNN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds7

About 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine

1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 79408928) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID79408928
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCN(CC(F)(F)F)C(C)C(C)CNC1CC1
InChIInChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)10(3)9(2)7-16-11-5-6-11/h9-11,16H,4-8H2,1-3H3
InChIKeyPRQKIZNKORHSNN-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
3-N-ethyl-2-methyl-1-N-(2-methylpropyl)-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 81012737
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 55073819
1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 79413811
1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62426974
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427327
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428588
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589
2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62424980
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 79408928) is 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is CCN(CC(F)(F)F)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is PRQKIZNKORHSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-4-17(8-12(13,14)15)10(3)9(2)7-16-11-5-6-11/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 79408928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).