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

C13H25F3N2 — CID 79408717

IUPAC1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCCN(CC(F)(F)F)C(C)C(C)CNC1CC1
InChIInChI=1S/C13H25F3N2/c1-4-7-18(9-13(14,15)16)11(3)10(2)8-17-12-5-6-12/h10-12,17H,4-9H2,1-3H3
InChIKeyVDCNBPRAEUOIRM-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds8

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

1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 79408717) 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-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID79408717
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCCN(CC(F)(F)F)C(C)C(C)CNC1CC1
InChIInChI=1S/C13H25F3N2/c1-4-7-18(9-13(14,15)16)11(3)10(2)8-17-12-5-6-12/h10-12,17H,4-9H2,1-3H3
InChIKeyVDCNBPRAEUOIRM-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 79408717) is 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is CCCN(CC(F)(F)F)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is VDCNBPRAEUOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-7-18(9-13(14,15)16)11(3)10(2)8-17-12-5-6-12/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 8 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-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 79408717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).