N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H26F3NO — CID 43748982

IUPACN-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-10(2)7-11(3)18-12-5-4-6-13(8-12)19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyVUDMNZGLDWRFCF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds6

About N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748982) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748982
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-10(2)7-11(3)18-12-5-4-6-13(8-12)19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyVUDMNZGLDWRFCF-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748982) is N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)CC(C)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VUDMNZGLDWRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-10(2)7-11(3)18-12-5-4-6-13(8-12)19-9-14(15,16)17/h10-13,18H,4-9H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).