2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

C12H24N2OS — CID 112659001

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCN(C)C(=O)C1CCCCC1CN
InChIInChI=1S/C12H24N2OS/c1-14(7-8-16-2)12(15)11-6-4-3-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyAVAKIIFYQHPDLC-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.57
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide

2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (PubChem CID 112659001) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
PubChem CID112659001
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
SMILESCSCCN(C)C(=O)C1CCCCC1CN
InChIInChI=1S/C12H24N2OS/c1-14(7-8-16-2)12(15)11-6-4-3-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3
InChIKeyAVAKIIFYQHPDLC-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 103822190
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CID 115747690
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
CID 112658871
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102861598
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 155129940
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621885

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide (CID 112659001) is 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is CSCCN(C)C(=O)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
The InChIKey is AVAKIIFYQHPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-14(7-8-16-2)12(15)11-6-4-3-5-10(11)9-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112659001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).