N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

C14H27F3N2 — CID 115513573

IUPACN'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCN(CCCNCCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H27F3N2/c1-19(13-7-3-2-4-8-13)12-6-11-18-10-5-9-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyDWWMWCAHZVJENH-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.57
Rot. Bonds8

About N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (PubChem CID 115513573) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
PubChem CID115513573
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCN(CCCNCCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H27F3N2/c1-19(13-7-3-2-4-8-13)12-6-11-18-10-5-9-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyDWWMWCAHZVJENH-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.57
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

N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
CID 81418915

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (CID 115513573) is N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is CN(CCCNCCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The InChIKey is DWWMWCAHZVJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-19(13-7-3-2-4-8-13)12-6-11-18-10-5-9-14(15,16)17/h13,18H,2-12H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is sourced from PubChem (CID 115513573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).