4-(2-aminoethyl)-N-methylthian-4-amine

C8H18N2S — CID 139719644

IUPAC4-(2-aminoethyl)-N-methylthian-4-amine
SMILESCNC1(CCN)CCSCC1
InChIInChI=1S/C8H18N2S/c1-10-8(2-5-9)3-6-11-7-4-8/h10H,2-7,9H2,1H3
InChIKeyGNCCNWUVRQXNPA-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.82
Rot. Bonds3

About 4-(2-aminoethyl)-N-methylthian-4-amine

4-(2-aminoethyl)-N-methylthian-4-amine (PubChem CID 139719644) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methylthian-4-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methylthian-4-amine
PubChem CID139719644
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name4-(2-aminoethyl)-N-methylthian-4-amine
SMILESCNC1(CCN)CCSCC1
InChIInChI=1S/C8H18N2S/c1-10-8(2-5-9)3-6-11-7-4-8/h10H,2-7,9H2,1H3
InChIKeyGNCCNWUVRQXNPA-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propylthio)ethyl]piperidin-4-amine
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4-[(Ethylsulfanyl)methyl]piperidine
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3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
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2-(4-fluorothian-4-yl)-N-methylethanamine
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2-fluoro-N-methyl-2-(thian-4-yl)ethanamine
CID 105437233
4-(2-aminoethyl)-N,N-dimethyltetrahydro-2H-thiopyran-4-amine
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N,N-diethyl-2-(piperidin-4-ylmethylsulfanyl)ethanamine
CID 20295338
N-(thian-4-ylmethyl)ethanamine
CID 57617582
4-[(Propan-2-ylsulfanyl)methyl]piperidine
CID 57742567
4-(1-Propan-2-ylsulfanylethyl)piperidine
CID 57742753
4-[(Tert-butylsulfanyl)methyl]piperidine
CID 57742821
N-(thian-4-ylmethyl)propan-2-amine
CID 58786892

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methylthian-4-amine?
The IUPAC name of 4-(2-aminoethyl)-N-methylthian-4-amine (CID 139719644) is 4-(2-aminoethyl)-N-methylthian-4-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-methylthian-4-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-methylthian-4-amine is CNC1(CCN)CCSCC1.
What is the InChIKey of 4-(2-aminoethyl)-N-methylthian-4-amine?
The InChIKey is GNCCNWUVRQXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-10-8(2-5-9)3-6-11-7-4-8/h10H,2-7,9H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methylthian-4-amine?
4-(2-aminoethyl)-N-methylthian-4-amine has a molecular weight of 174.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methylthian-4-amine is sourced from PubChem (CID 139719644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).