N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine

C14H22INS — CID 104988096

IUPACN-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)C1CCC(C)CC1
InChIInChI=1S/C14H22INS/c1-3-16-14(12-8-13(15)17-9-12)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3
InChIKeyVNWUGQICNNNKKA-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.83
Rot. Bonds4

About N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 104988096) has the molecular formula C14H22INS and a molecular weight of 363.31 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID104988096
Molecular FormulaC14H22INS
Molecular Weight363.31 g/mol
Exact Mass363.05
IUPAC NameN-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)C1CCC(C)CC1
InChIInChI=1S/C14H22INS/c1-3-16-14(12-8-13(15)17-9-12)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3
InChIKeyVNWUGQICNNNKKA-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.83
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

N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 64776273
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 104988711
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105330732
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine (CID 104988096) is N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1csc(I)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is VNWUGQICNNNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INS/c1-3-16-14(12-8-13(15)17-9-12)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 363.31 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104988096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).