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

C13H25F3N2 — CID 79408611

IUPAC1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)18(8-13(14,15)16)11(4)10(3)7-17-12-5-6-12/h9-12,17H,5-8H2,1-4H3
InChIKeyMMYODVCVZNHWQT-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

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

1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 79408611) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID79408611
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)18(8-13(14,15)16)11(4)10(3)7-17-12-5-6-12/h9-12,17H,5-8H2,1-4H3
InChIKeyMMYODVCVZNHWQT-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 79408611) is 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is CC(CNC1CC1)C(C)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is MMYODVCVZNHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(2)18(8-13(14,15)16)11(4)10(3)7-17-12-5-6-12/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 79408611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).