3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine

C10H18N2OS — CID 81101740

IUPAC3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(6-10(11)7-13-2)5-9-3-4-14-8-9/h3-4,8,10H,5-7,11H2,1-2H3
InChIKeyIFDKZXRHIDJTAO-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.15
Rot. Bonds6

About 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 81101740) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID81101740
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(6-10(11)7-13-2)5-9-3-4-14-8-9/h3-4,8,10H,5-7,11H2,1-2H3
InChIKeyIFDKZXRHIDJTAO-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102122
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 82870860
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 81101740) is 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is COCC(N)CN(C)Cc1ccsc1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is IFDKZXRHIDJTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(6-10(11)7-13-2)5-9-3-4-14-8-9/h3-4,8,10H,5-7,11H2,1-2H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 214.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 81101740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).