N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine

C12H19NOS — CID 115735920

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
SMILESCOCCC1(CNCc2ccsc2)CC1
InChIInChI=1S/C12H19NOS/c1-14-6-5-12(3-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13H,3-6,8,10H2,1H3
InChIKeyOKLRBGCIOXEZGH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.65
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 115735920) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID115735920
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
SMILESCOCCC1(CNCc2ccsc2)CC1
InChIInChI=1S/C12H19NOS/c1-14-6-5-12(3-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13H,3-6,8,10H2,1H3
InChIKeyOKLRBGCIOXEZGH-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 103802259
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine (CID 115735920) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine is COCCC1(CNCc2ccsc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is OKLRBGCIOXEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-6-5-12(3-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13H,3-6,8,10H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 115735920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).