4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine

C10H19F3N2 — CID 64705974

IUPAC4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
SMILESCC(N)CC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2/c1-7(14)5-8(2)15(9-3-4-9)6-10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyILWAMHKVNYQVTR-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds5

About 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine

4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine (PubChem CID 64705974) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
PubChem CID64705974
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
SMILESCC(N)CC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2/c1-7(14)5-8(2)15(9-3-4-9)6-10(11,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyILWAMHKVNYQVTR-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine (CID 64705974) is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine is CC(N)CC(C)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The InChIKey is ILWAMHKVNYQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-7(14)5-8(2)15(9-3-4-9)6-10(11,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine is sourced from PubChem (CID 64705974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).