N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

C18H31NOS — CID 80719995

IUPACN-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCCOCc1cc(CNC2CC2)sc1C
InChIInChI=1S/C18H31NOS/c1-3-4-5-6-7-8-11-20-14-16-12-18(21-15(16)2)13-19-17-9-10-17/h12,17,19H,3-11,13-14H2,1-2H3
InChIKeyDVFBAQYFWIYSKK-UHFFFAOYSA-N
MW309.52 g/mol
LogP5.19
Rot. Bonds12

About N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 80719995) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID80719995
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC NameN-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCCOCc1cc(CNC2CC2)sc1C
InChIInChI=1S/C18H31NOS/c1-3-4-5-6-7-8-11-20-14-16-12-18(21-15(16)2)13-19-17-9-10-17/h12,17,19H,3-11,13-14H2,1-2H3
InChIKeyDVFBAQYFWIYSKK-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.52
LogP ≤ 55.19
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-[[5-methyl-4-(4-methylpentoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80728948
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719992
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
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80721416
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720787
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 80719995) is N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is CCCCCCCCOCc1cc(CNC2CC2)sc1C.
What is the InChIKey of N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is DVFBAQYFWIYSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-3-4-5-6-7-8-11-20-14-16-12-18(21-15(16)2)13-19-17-9-10-17/h12,17,19H,3-11,13-14H2,1-2H3.
What are the key properties of N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 309.52 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80719995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).