3-(aminomethyl)-N-ethyl-N-propylthian-3-amine

C11H24N2S — CID 62871308

IUPAC3-(aminomethyl)-N-ethyl-N-propylthian-3-amine
SMILESCCCN(CC)C1(CN)CCCSC1
InChIInChI=1S/C11H24N2S/c1-3-7-13(4-2)11(9-12)6-5-8-14-10-11/h3-10,12H2,1-2H3
InChIKeyPDDVZUWSGQEKLP-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine

3-(aminomethyl)-N-ethyl-N-propylthian-3-amine (PubChem CID 62871308) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-propylthian-3-amine
PubChem CID62871308
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name3-(aminomethyl)-N-ethyl-N-propylthian-3-amine
SMILESCCCN(CC)C1(CN)CCCSC1
InChIInChI=1S/C11H24N2S/c1-3-7-13(4-2)11(9-12)6-5-8-14-10-11/h3-10,12H2,1-2H3
InChIKeyPDDVZUWSGQEKLP-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine (CID 62871308) is 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine is CCCN(CC)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine?
The InChIKey is PDDVZUWSGQEKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-7-13(4-2)11(9-12)6-5-8-14-10-11/h3-10,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine?
3-(aminomethyl)-N-ethyl-N-propylthian-3-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-propylthian-3-amine is sourced from PubChem (CID 62871308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).