1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol

C9H19NS — CID 123323987

IUPAC1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol
SMILESCC(S)NC(C)C1C(C)C1C
InChIInChI=1S/C9H19NS/c1-5-6(2)9(5)7(3)10-8(4)11/h5-11H,1-4H3
InChIKeyRDABNLBYYZNWRF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.14
Rot. Bonds3

About 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol

1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol (PubChem CID 123323987) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol.

Molecular Properties

Compound Name1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol
PubChem CID123323987
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol
SMILESCC(S)NC(C)C1C(C)C1C
InChIInChI=1S/C9H19NS/c1-5-6(2)9(5)7(3)10-8(4)11/h5-11H,1-4H3
InChIKeyRDABNLBYYZNWRF-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol?
The IUPAC name of 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol (CID 123323987) is 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol.
What is the SMILES notation for 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol?
The canonical SMILES for 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol is CC(S)NC(C)C1C(C)C1C.
What is the InChIKey of 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol?
The InChIKey is RDABNLBYYZNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-6(2)9(5)7(3)10-8(4)11/h5-11H,1-4H3.
What are the key properties of 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol?
1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol has a molecular weight of 173.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylcyclopropyl)ethylamino]ethanethiol is sourced from PubChem (CID 123323987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).