N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine

C13H23F2NO — CID 114223826

IUPACN-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
SMILESFC1(F)CCCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-2-12(8-13)10-16-9-11-3-6-17-7-4-11/h11-12,16H,1-10H2
InChIKeyKUVIBPUEAFIGKY-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.83
Rot. Bonds4

About N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine

N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 114223826) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID114223826
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
SMILESFC1(F)CCCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-2-12(8-13)10-16-9-11-3-6-17-7-4-11/h11-12,16H,1-10H2
InChIKeyKUVIBPUEAFIGKY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
CID 114215722
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
CID 114223810
2-(3,3-difluorocyclohexyl)-1-(3-methyloxan-4-yl)ethanone
CID 114241894
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
N-[[(1S)-3,3-difluorocyclohexyl]methyl]-4-(3-fluoro-4-methoxyphenyl)oxan-4-amine
CID 164641030

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine (CID 114223826) is N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine is FC1(F)CCCC(CNCC2CCOCC2)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is KUVIBPUEAFIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)5-1-2-12(8-13)10-16-9-11-3-6-17-7-4-11/h11-12,16H,1-10H2.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine?
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 247.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 114223826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).