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

C13H25F3N2 — CID 55073770

IUPAC2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-9(2)12(7-17-10(3)4)18(11-5-6-11)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3
InChIKeyMJTBKXPGOXRIBM-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

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

2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 55073770) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID55073770
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-9(2)12(7-17-10(3)4)18(11-5-6-11)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3
InChIKeyMJTBKXPGOXRIBM-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 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 55073770) is 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CC(C)NCC(C(C)C)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is MJTBKXPGOXRIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(2)12(7-17-10(3)4)18(11-5-6-11)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-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 2-N-cyclopropyl-3-methyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 55073770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).