N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine

C13H21NOS — CID 65303412

IUPACN-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
SMILESCc1cc(CCOCCNC2CC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-10-9-12(11(2)16-10)5-7-15-8-6-14-13-3-4-13/h9,13-14H,3-8H2,1-2H3
InChIKeySBSNWEHPYPUVNT-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine

N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine (PubChem CID 65303412) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
PubChem CID65303412
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
SMILESCc1cc(CCOCCNC2CC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-10-9-12(11(2)16-10)5-7-15-8-6-14-13-3-4-13/h9,13-14H,3-8H2,1-2H3
InChIKeySBSNWEHPYPUVNT-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.68
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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Related Compounds

N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
CID 65305738
N-[2-[2-(5-chloro-4-methylthiophen-2-yl)ethoxy]ethyl]cyclopropanamine
CID 102765255
N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303492
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303577
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 54977715
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64865985
N-[4-[2-methyl-5-(propylaminomethyl)thiophen-3-yl]butyl]cyclopropanamine
CID 80729000
N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
CID 102844899
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902
2,5-dimethyl-3-(propoxymethyl)thiophene
CID 174163703

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine (CID 65303412) is N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine is Cc1cc(CCOCCNC2CC2)c(C)s1.
What is the InChIKey of N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine?
The InChIKey is SBSNWEHPYPUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-9-12(11(2)16-10)5-7-15-8-6-14-13-3-4-13/h9,13-14H,3-8H2,1-2H3.
What are the key properties of N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine?
N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine has a molecular weight of 239.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 65303412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).