2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine

C13H21ClN2S — CID 61438820

IUPAC2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1CCCCC1CN
InChIInChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyMLHDKYNGQYOGQI-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.35
Rot. Bonds4

About 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 61438820) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID61438820
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1CCCCC1CN
InChIInChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyMLHDKYNGQYOGQI-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
2-(aminomethyl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 102841769
[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 61438166
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-N-[(5-bromothiophen-2-yl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118036
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
CID 112740228
2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 106885981

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine (CID 61438820) is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine is CN(Cc1ccc(Cl)s1)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is MLHDKYNGQYOGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61438820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).