N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine

C14H26FNO — CID 170209834

IUPACN-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
SMILESCC(C)(F)C1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C14H26FNO/c1-14(2,15)11-5-7-12(8-6-11)16-13-4-3-9-17-10-13/h11-13,16H,3-10H2,1-2H3
InChIKeyUOBPUIAVSPBTNI-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.06
Rot. Bonds3

About N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine

N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine (PubChem CID 170209834) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine.

Molecular Properties

Compound NameN-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
PubChem CID170209834
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC NameN-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
SMILESCC(C)(F)C1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C14H26FNO/c1-14(2,15)11-5-7-12(8-6-11)16-13-4-3-9-17-10-13/h11-13,16H,3-10H2,1-2H3
InChIKeyUOBPUIAVSPBTNI-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine?
The IUPAC name of N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine (CID 170209834) is N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine.
What is the SMILES notation for N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine?
The canonical SMILES for N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine is CC(C)(F)C1CCC(NC2CCCOC2)CC1.
What is the InChIKey of N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine?
The InChIKey is UOBPUIAVSPBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-14(2,15)11-5-7-12(8-6-11)16-13-4-3-9-17-10-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine?
N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine has a molecular weight of 243.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine is sourced from PubChem (CID 170209834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).