4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine

C12H22N2OS — CID 62478000

IUPAC4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)C(C)c1cccs1
InChIInChI=1S/C12H22N2OS/c1-10(12-5-4-8-16-12)14(2)9-11(13)6-7-15-3/h4-5,8,10-11H,6-7,9,13H2,1-3H3
InChIKeyGOSNQFRWXZSLFD-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.10
Rot. Bonds7

About 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine (PubChem CID 62478000) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
PubChem CID62478000
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(C)C(C)c1cccs1
InChIInChI=1S/C12H22N2OS/c1-10(12-5-4-8-16-12)14(2)9-11(13)6-7-15-3/h4-5,8,10-11H,6-7,9,13H2,1-3H3
InChIKeyGOSNQFRWXZSLFD-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91840951
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 110882281
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine (CID 62478000) is 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine is COCCC(N)CN(C)C(C)c1cccs1.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
The InChIKey is GOSNQFRWXZSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(12-5-4-8-16-12)14(2)9-11(13)6-7-15-3/h4-5,8,10-11H,6-7,9,13H2,1-3H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 62478000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).