2-(1-methylidenethian-4-yl)ethanamine

C8H17NS — CID 144897910

IUPAC2-(1-methylidenethian-4-yl)ethanamine
SMILESC=S1CCC(CCN)CC1
InChIInChI=1S/C8H17NS/c1-10-6-3-8(2-5-9)4-7-10/h8H,1-7,9H2
InChIKeyILMLDOMUXCIWLB-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.45
Rot. Bonds2

About 2-(1-methylidenethian-4-yl)ethanamine

2-(1-methylidenethian-4-yl)ethanamine (PubChem CID 144897910) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(1-methylidenethian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylidenethian-4-yl)ethanamine
PubChem CID144897910
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(1-methylidenethian-4-yl)ethanamine
SMILESC=S1CCC(CCN)CC1
InChIInChI=1S/C8H17NS/c1-10-6-3-8(2-5-9)4-7-10/h8H,1-7,9H2
InChIKeyILMLDOMUXCIWLB-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptatriacontylethanamine
CID 70967764
2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
CID 19790328
2-cyclopropylethanamine;sulfuric acid
CID 160536384
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
2-(1-phosphanylpiperidin-4-yl)ethanamine
CID 118531891
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
2-(3-bicyclo[3.2.1]octanyl)ethanamine
CID 130370371
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
2-[(4E)-cyclooct-4-en-1-yl]ethanamine
CID 174324919
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
CID 163989914

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidenethian-4-yl)ethanamine?
The IUPAC name of 2-(1-methylidenethian-4-yl)ethanamine (CID 144897910) is 2-(1-methylidenethian-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methylidenethian-4-yl)ethanamine?
The canonical SMILES for 2-(1-methylidenethian-4-yl)ethanamine is C=S1CCC(CCN)CC1.
What is the InChIKey of 2-(1-methylidenethian-4-yl)ethanamine?
The InChIKey is ILMLDOMUXCIWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-10-6-3-8(2-5-9)4-7-10/h8H,1-7,9H2.
What are the key properties of 2-(1-methylidenethian-4-yl)ethanamine?
2-(1-methylidenethian-4-yl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidenethian-4-yl)ethanamine is sourced from PubChem (CID 144897910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).