N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine

C9H19NOS — CID 61385827

IUPACN-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine
SMILESCOCCSCCCNC1CC1
InChIInChI=1S/C9H19NOS/c1-11-6-8-12-7-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyFLRKQNVTPDSIEB-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds8

About N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine

N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine (PubChem CID 61385827) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine
PubChem CID61385827
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine
SMILESCOCCSCCCNC1CC1
InChIInChI=1S/C9H19NOS/c1-11-6-8-12-7-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyFLRKQNVTPDSIEB-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine (CID 61385827) is N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine is COCCSCCCNC1CC1.
What is the InChIKey of N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine?
The InChIKey is FLRKQNVTPDSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-11-6-8-12-7-2-5-10-9-3-4-9/h9-10H,2-8H2,1H3.
What are the key properties of N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine?
N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine has a molecular weight of 189.32 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfanyl)propyl]cyclopropanamine is sourced from PubChem (CID 61385827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).