1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine

C13H23F2NO — CID 114223968

IUPAC1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
SMILESCC1OCCC1CNCC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-10-12(4-6-17-10)9-16-8-11-3-2-5-13(14,15)7-11/h10-12,16H,2-9H2,1H3
InChIKeyCGAJPAGMAJJVOT-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine

1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine (PubChem CID 114223968) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
PubChem CID114223968
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
SMILESCC1OCCC1CNCC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-10-12(4-6-17-10)9-16-8-11-3-2-5-13(14,15)7-11/h10-12,16H,2-9H2,1H3
InChIKeyCGAJPAGMAJJVOT-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

N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 114223847
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
CID 114223810
2-(3,3-difluorocyclohexyl)-1-(3-methyloxan-4-yl)ethanone
CID 114241894

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine (CID 114223968) is 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine is CC1OCCC1CNCC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine?
The InChIKey is CGAJPAGMAJJVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-10-12(4-6-17-10)9-16-8-11-3-2-5-13(14,15)7-11/h10-12,16H,2-9H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine?
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]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 1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 114223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).