4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

C10H21F3N2 — CID 62428039

IUPAC4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCCN(CC(F)(F)F)C(C)CCCNC
InChIInChI=1S/C10H21F3N2/c1-4-15(8-10(11,12)13)9(2)6-5-7-14-3/h9,14H,4-8H2,1-3H3
InChIKeyUVULCPKCPQKMDZ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds7

About 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (PubChem CID 62428039) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
PubChem CID62428039
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCCN(CC(F)(F)F)C(C)CCCNC
InChIInChI=1S/C10H21F3N2/c1-4-15(8-10(11,12)13)9(2)6-5-7-14-3/h9,14H,4-8H2,1-3H3
InChIKeyUVULCPKCPQKMDZ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (CID 62428039) is 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is CCN(CC(F)(F)F)C(C)CCCNC.
What is the InChIKey of 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The InChIKey is UVULCPKCPQKMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-4-15(8-10(11,12)13)9(2)6-5-7-14-3/h9,14H,4-8H2,1-3H3.
What are the key properties of 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is sourced from PubChem (CID 62428039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).