1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

C14H22INS — CID 104988711

IUPAC1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C14H22INS/c1-9-4-10(2)6-11(5-9)14(16-3)12-7-13(15)17-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyGBBCCVCBNYLNCX-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.69
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine

1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (PubChem CID 104988711) has the molecular formula C14H22INS and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
PubChem CID104988711
Molecular FormulaC14H22INS
Molecular Weight363.31 g/mol
Exact Mass363.05
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(I)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C14H22INS/c1-9-4-10(2)6-11(5-9)14(16-3)12-7-13(15)17-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyGBBCCVCBNYLNCX-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 104989009
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105330732
1-(3,5-dimethylcyclohexyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 64729922
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine (CID 104988711) is 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is CNC(c1csc(I)c1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
The InChIKey is GBBCCVCBNYLNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INS/c1-9-4-10(2)6-11(5-9)14(16-3)12-7-13(15)17-8-12/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine?
1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine has a molecular weight of 363.31 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 104988711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).