N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine

C17H28N2OS — CID 80721416

IUPACN-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1COCCC1CCCN1C
InChIInChI=1S/C17H28N2OS/c1-13-14(10-17(21-13)11-18-15-5-6-15)12-20-9-7-16-4-3-8-19(16)2/h10,15-16,18H,3-9,11-12H2,1-2H3
InChIKeyUGANJJGOSFXOCE-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.31
Rot. Bonds8

About N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 80721416) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID80721416
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1COCCC1CCCN1C
InChIInChI=1S/C17H28N2OS/c1-13-14(10-17(21-13)11-18-15-5-6-15)12-20-9-7-16-4-3-8-19(16)2/h10,15-16,18H,3-9,11-12H2,1-2H3
InChIKeyUGANJJGOSFXOCE-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.31
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-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
N-[[5-methyl-4-(4-methylpentoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80728948
N-[[4-(but-3-enoxymethyl)-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729694
N-[[4-[2-[cyclopropyl(methyl)amino]ethoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102741003
N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 80722127
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720787
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80728424
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80721377
N-[[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80722854
N-methyl-1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 62459180
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80734134
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine (CID 80721416) is N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine is Cc1sc(CNC2CC2)cc1COCCC1CCCN1C.
What is the InChIKey of N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is UGANJJGOSFXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-13-14(10-17(21-13)11-18-15-5-6-15)12-20-9-7-16-4-3-8-19(16)2/h10,15-16,18H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 308.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80721416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).