3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine

C13H26N2S — CID 62871304

IUPAC3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
SMILESCN(C1CCCCC1)C1(CN)CCCSC1
InChIInChI=1S/C13H26N2S/c1-15(12-6-3-2-4-7-12)13(10-14)8-5-9-16-11-13/h12H,2-11,14H2,1H3
InChIKeyVNMGZHNAJDMYGL-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.48
Rot. Bonds3

About 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine

3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine (PubChem CID 62871304) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
PubChem CID62871304
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
SMILESCN(C1CCCCC1)C1(CN)CCCSC1
InChIInChI=1S/C13H26N2S/c1-15(12-6-3-2-4-7-12)13(10-14)8-5-9-16-11-13/h12H,2-11,14H2,1H3
InChIKeyVNMGZHNAJDMYGL-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine (CID 62871304) is 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine is CN(C1CCCCC1)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine?
The InChIKey is VNMGZHNAJDMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-15(12-6-3-2-4-7-12)13(10-14)8-5-9-16-11-13/h12H,2-11,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine?
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine is sourced from PubChem (CID 62871304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).