N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine

C17H25NO — CID 139448865

IUPACN,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine
SMILESCN(C)C1CCCC(c2cccc(C3COC3)c2)C1
InChIInChI=1S/C17H25NO/c1-18(2)17-8-4-7-15(10-17)13-5-3-6-14(9-13)16-11-19-12-16/h3,5-6,9,15-17H,4,7-8,10-12H2,1-2H3
InChIKeyVDJUVRVBYHTAFK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.39
Rot. Bonds3

About N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine

N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine (PubChem CID 139448865) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine
PubChem CID139448865
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine
SMILESCN(C)C1CCCC(c2cccc(C3COC3)c2)C1
InChIInChI=1S/C17H25NO/c1-18(2)17-8-4-7-15(10-17)13-5-3-6-14(9-13)16-11-19-12-16/h3,5-6,9,15-17H,4,7-8,10-12H2,1-2H3
InChIKeyVDJUVRVBYHTAFK-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
4-[3-(dimethylamino)cyclohexyl]aniline
CID 142146048
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
3-(3-methoxyphenyl)oxetane
CID 130113867
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
3-(oxan-3-yl)benzonitrile
CID 175490796
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
CID 142165955
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
CID 84771178
N,N-diethyl-3-(3-methylcyclohexyl)aniline
CID 21135110
2-methyl-2-[3-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295101
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine (CID 139448865) is N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine is CN(C)C1CCCC(c2cccc(C3COC3)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine?
The InChIKey is VDJUVRVBYHTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(2)17-8-4-7-15(10-17)13-5-3-6-14(9-13)16-11-19-12-16/h3,5-6,9,15-17H,4,7-8,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine?
N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 139448865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).