N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine

C13H26N2S — CID 103068644

IUPACN-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSCCN(CC)CC
InChIInChI=1S/C13H26N2S/c1-4-15(5-2)8-9-16-11-12(3)10-14-13-6-7-13/h13-14H,3-11H2,1-2H3
InChIKeyVSFWFUGFKOSEEH-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.37
Rot. Bonds10

About N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine

N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103068644) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine
PubChem CID103068644
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSCCN(CC)CC
InChIInChI=1S/C13H26N2S/c1-4-15(5-2)8-9-16-11-12(3)10-14-13-6-7-13/h13-14H,3-11H2,1-2H3
InChIKeyVSFWFUGFKOSEEH-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine (CID 103068644) is N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CSCCN(CC)CC.
What is the InChIKey of N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is VSFWFUGFKOSEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-4-15(5-2)8-9-16-11-12(3)10-14-13-6-7-13/h13-14H,3-11H2,1-2H3.
What are the key properties of N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine?
N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 242.43 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethylsulfanylmethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).