1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

C15H27N3S — CID 63276066

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)CC2CCN(C)C2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-11-7-14(12(2)19-11)15(8-16)18(4)10-13-5-6-17(3)9-13/h7,13,15H,5-6,8-10,16H2,1-4H3
InChIKeyMATVTRDVYFBDEZ-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63276066) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID63276066
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)CC2CCN(C)C2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-11-7-14(12(2)19-11)15(8-16)18(4)10-13-5-6-17(3)9-13/h7,13,15H,5-6,8-10,16H2,1-4H3
InChIKeyMATVTRDVYFBDEZ-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206721
1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275539
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275627
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 54977279
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
1-(4-bromo-3-fluorophenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 81437678
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983745
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (CID 63276066) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is Cc1cc(C(CN)N(C)CC2CCN(C)C2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is MATVTRDVYFBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-7-14(12(2)19-11)15(8-16)18(4)10-13-5-6-17(3)9-13/h7,13,15H,5-6,8-10,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 281.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63276066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).