N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine

C16H28N2S — CID 64734849

IUPACN,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(C)Cc1ccsc1
InChIInChI=1S/C16H28N2S/c1-12-7-13(2)15(16(8-12)17-3)10-18(4)9-14-5-6-19-11-14/h5-6,11-13,15-17H,7-10H2,1-4H3
InChIKeyMUOKNRWFQFGRNC-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.45
Rot. Bonds5

About N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine

N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 64734849) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID64734849
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(C)Cc1ccsc1
InChIInChI=1S/C16H28N2S/c1-12-7-13(2)15(16(8-12)17-3)10-18(4)9-14-5-6-19-11-14/h5-6,11-13,15-17H,7-10H2,1-4H3
InChIKeyMUOKNRWFQFGRNC-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737227
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
CID 64736267
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 64737587
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 64734849) is N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine is CNC1CC(C)CC(C)C1CN(C)Cc1ccsc1.
What is the InChIKey of N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is MUOKNRWFQFGRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-7-13(2)15(16(8-12)17-3)10-18(4)9-14-5-6-19-11-14/h5-6,11-13,15-17H,7-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine?
N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64734849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).