N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C12H20N2OS — CID 79479893

IUPACN-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCCOCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2OS/c13-4-6-15-7-5-14(12-1-2-12)9-11-3-8-16-10-11/h3,8,10,12H,1-2,4-7,9,13H2
InChIKeyDZEPWMIGFHJCKE-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.69
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 79479893) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID79479893
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCCOCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2OS/c13-4-6-15-7-5-14(12-1-2-12)9-11-3-8-16-10-11/h3,8,10,12H,1-2,4-7,9,13H2
InChIKeyDZEPWMIGFHJCKE-UHFFFAOYSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N-[2-(3-bromophenoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 63458323
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 79479893) is N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is NCCOCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is DZEPWMIGFHJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-4-6-15-7-5-14(12-1-2-12)9-11-3-8-16-10-11/h3,8,10,12H,1-2,4-7,9,13H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 240.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79479893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).