N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine

C13H21NOS — CID 62712121

IUPACN-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-6-12(10(2)16-9)13-7-11(13)8-14-4-5-15-3/h6,11,13-14H,4-5,7-8H2,1-3H3
InChIKeyWZSMPFBRYRXQQJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds6

About N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62712121) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62712121
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-6-12(10(2)16-9)13-7-11(13)8-14-4-5-15-3/h6,11,13-14H,4-5,7-8H2,1-3H3
InChIKeyWZSMPFBRYRXQQJ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.70
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-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365852
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
CID 79234716
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 104771675
N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62713547
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 107125489
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
2-methoxy-N-[[2-(5-methylthiophen-2-yl)oxan-3-yl]methyl]ethanamine
CID 79365128
2-methoxy-N-[[2-(4-nitrophenyl)cyclopropyl]methyl]ethanamine
CID 62712107

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine (CID 62712121) is N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1c1cc(C)sc1C.
What is the InChIKey of N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is WZSMPFBRYRXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-6-12(10(2)16-9)13-7-11(13)8-14-4-5-15-3/h6,11,13-14H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62712121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).