1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine

C12H23F3N2 — CID 79408875

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

About 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine (PubChem CID 79408875) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
PubChem CID79408875
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CCC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-9(8-16-11-4-5-11)10(2)17(3)7-6-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyRQMUIDKYPUQGNW-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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine (CID 79408875) is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine is CC(CNC1CC1)C(C)N(C)CCC(F)(F)F.
What is the InChIKey of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The InChIKey is RQMUIDKYPUQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-9(8-16-11-4-5-11)10(2)17(3)7-6-12(13,14)15/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)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,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine is sourced from PubChem (CID 79408875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).