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

C10H21F3N2 — CID 62426016

IUPAC3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCCNCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-6-14-7-5-9(2)15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyZZYCKUGPCJJJEA-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds7

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

3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (PubChem CID 62426016) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
PubChem CID62426016
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
SMILESCCCNCCC(C)N(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-4-6-14-7-5-9(2)15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyZZYCKUGPCJJJEA-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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Related Compounds

4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62426193
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1-N-propylbutane-1,3-diamine
CID 55069522
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225819

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine (CID 62426016) is 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is CCCNCCC(C)N(C)CC(F)(F)F.
What is the InChIKey of 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
The InChIKey is ZZYCKUGPCJJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-4-6-14-7-5-9(2)15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3.
What are the key properties of 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine?
3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-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 3-N-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine is sourced from PubChem (CID 62426016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).