N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

C15H26N2S — CID 79066072

IUPACN,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccc(C)s1)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26N2S/c1-12-8-9-13(18-12)14(16-2)15(17(3)4)10-6-5-7-11-15/h8-9,14,16H,5-7,10-11H2,1-4H3
InChIKeyNDHJILCIPCDPNV-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.58
Rot. Bonds4

About N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79066072) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID79066072
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccc(C)s1)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26N2S/c1-12-8-9-13(18-12)14(16-2)15(17(3)4)10-6-5-7-11-15/h8-9,14,16H,5-7,10-11H2,1-4H3
InChIKeyNDHJILCIPCDPNV-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243796
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066885
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 116768821
1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855
3-[[1-(dimethylamino)cyclohexyl]-(methylamino)methyl]pyridin-4-amine
CID 79066743

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 79066072) is N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is CNC(c1ccc(C)s1)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is NDHJILCIPCDPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-8-9-13(18-12)14(16-2)15(17(3)4)10-6-5-7-11-15/h8-9,14,16H,5-7,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79066072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).