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

C9H20N2S — CID 24691049

IUPAC3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2S/c1-8(2)11(3)9(6-10)4-5-12-7-9/h8H,4-7,10H2,1-3H3
InChIKeyLDOQFTKKCBMBLV-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds3

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

3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine (PubChem CID 24691049) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
PubChem CID24691049
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
SMILESCC(C)N(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2S/c1-8(2)11(3)9(6-10)4-5-12-7-9/h8H,4-7,10H2,1-3H3
InChIKeyLDOQFTKKCBMBLV-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
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-ylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine (CID 24691049) is 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine is CC(C)N(C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine?
The InChIKey is LDOQFTKKCBMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(2)11(3)9(6-10)4-5-12-7-9/h8H,4-7,10H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine?
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 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-ylthiolan-3-amine is sourced from PubChem (CID 24691049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).