N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine

C12H24N2S — CID 43530799

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1CCCCC1CN
InChIInChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-9,13H2,1H3
InChIKeyZTYXTUKJPCJNEP-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine

N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine (PubChem CID 43530799) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
PubChem CID43530799
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1CCCCC1CN
InChIInChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-9,13H2,1H3
InChIKeyZTYXTUKJPCJNEP-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 79942003
N-[(2-methylthiolan-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80723841
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 102671518
2-(aminomethyl)-N-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544072
2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616956
[4-(4-Tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
CID 59525171
2,8-Dimethyl-1-thia-8-azaspiro[4.5]decan-3-amine
CID 66993394
4-Cyclohexyl-2-methyl-1,3-thiazolidine
CID 130245003
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318
[(3S,5S)-1-methyl-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine
CID 156354001
2-Cyclohexyl-5-methyl-4-propan-2-yl-1,3-thiazolidine
CID 167079560
4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine
CID 20760591

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine (CID 43530799) is N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine is CN(C1CCSC1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine?
The InChIKey is ZTYXTUKJPCJNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-9,13H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine?
N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43530799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).