3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine

C10H22N2S — CID 62871305

IUPAC3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine
SMILESCC(C)N(C)C1(CN)CCCSC1
InChIInChI=1S/C10H22N2S/c1-9(2)12(3)10(7-11)5-4-6-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeyTXEGXLLHHFLYRH-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine

3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine (PubChem CID 62871305) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine
PubChem CID62871305
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine
SMILESCC(C)N(C)C1(CN)CCCSC1
InChIInChI=1S/C10H22N2S/c1-9(2)12(3)10(7-11)5-4-6-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeyTXEGXLLHHFLYRH-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine (CID 62871305) is 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine is CC(C)N(C)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine?
The InChIKey is TXEGXLLHHFLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(2)12(3)10(7-11)5-4-6-13-8-10/h9H,4-8,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine?
3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 62871305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).