N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H27F3N2 — CID 104678834

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCC1(CN)CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-2-9-19(12-14(15,16)17)10-8-13(11-18)6-4-3-5-7-13/h2-12,18H2,1H3
InChIKeyLIYWCPJCGWYPEK-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 104678834) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID104678834
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCC1(CN)CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-2-9-19(12-14(15,16)17)10-8-13(11-18)6-4-3-5-7-13/h2-12,18H2,1H3
InChIKeyLIYWCPJCGWYPEK-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
[1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
CID 62271295
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
CID 65458439
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclobutan-1-amine
CID 79843833
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
(1-pentylcyclopentyl)methanamine
CID 62725889
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
CID 81169937
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
(1-ethylcyclooctyl)methanamine
CID 80604065
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 113440269

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 104678834) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCC1(CN)CCCCC1)CC(F)(F)F.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LIYWCPJCGWYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-2-9-19(12-14(15,16)17)10-8-13(11-18)6-4-3-5-7-13/h2-12,18H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 104678834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).