N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine

C15H28N2OS — CID 55004064

IUPACN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1sccc1C
InChIInChI=1S/C15H28N2OS/c1-5-13(6-2)17(8-9-18-4)14(11-16)15-12(3)7-10-19-15/h7,10,13-14H,5-6,8-9,11,16H2,1-4H3
InChIKeyDFZVNHTUBFXQLA-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.19
Rot. Bonds9

About N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine

N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 55004064) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID55004064
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)c1sccc1C
InChIInChI=1S/C15H28N2OS/c1-5-13(6-2)17(8-9-18-4)14(11-16)15-12(3)7-10-19-15/h7,10,13-14H,5-6,8-9,11,16H2,1-4H3
InChIKeyDFZVNHTUBFXQLA-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine (CID 55004064) is N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCOC)C(CN)c1sccc1C.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is DFZVNHTUBFXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-13(6-2)17(8-9-18-4)14(11-16)15-12(3)7-10-19-15/h7,10,13-14H,5-6,8-9,11,16H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine?
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 55004064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).