N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine

C16H28N2S — CID 80728304

IUPACN,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
SMILESCNCc1cc(CN(C)C2CCCCC2C)c(C)s1
InChIInChI=1S/C16H28N2S/c1-12-7-5-6-8-16(12)18(4)11-14-9-15(10-17-3)19-13(14)2/h9,12,16-17H,5-8,10-11H2,1-4H3
InChIKeyCQZORJBWHYIKCN-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.79
Rot. Bonds5

About N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine

N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine (PubChem CID 80728304) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
PubChem CID80728304
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
SMILESCNCc1cc(CN(C)C2CCCCC2C)c(C)s1
InChIInChI=1S/C16H28N2S/c1-12-7-5-6-8-16(12)18(4)11-14-9-15(10-17-3)19-13(14)2/h9,12,16-17H,5-8,10-11H2,1-4H3
InChIKeyCQZORJBWHYIKCN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine (CID 80728304) is N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine is CNCc1cc(CN(C)C2CCCCC2C)c(C)s1.
What is the InChIKey of N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is CQZORJBWHYIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-7-5-6-8-16(12)18(4)11-14-9-15(10-17-3)19-13(14)2/h9,12,16-17H,5-8,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine?
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 80728304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).