N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C16H30F3NO — CID 43748976

IUPACN-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)CC(CC)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-4-12(3)9-13(5-2)20-14-7-6-8-15(10-14)21-11-16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyPCWGOAFXWDOMTE-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.68
Rot. Bonds8

About N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748976) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748976
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)CC(CC)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-4-12(3)9-13(5-2)20-14-7-6-8-15(10-14)21-11-16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyPCWGOAFXWDOMTE-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748976) is N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC(C)CC(CC)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is PCWGOAFXWDOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-4-12(3)9-13(5-2)20-14-7-6-8-15(10-14)21-11-16(17,18)19/h12-15,20H,4-11H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).