1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C10H18N2S — CID 43649767

IUPAC1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CN(C)Cc1cccs1
InChIInChI=1S/C10H18N2S/c1-3-9(11)7-12(2)8-10-5-4-6-13-10/h4-6,9H,3,7-8,11H2,1-2H3
InChIKeyQGANHHKWYGPHKA-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.92
Rot. Bonds5

About 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 43649767) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID43649767
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(N)CN(C)Cc1cccs1
InChIInChI=1S/C10H18N2S/c1-3-9(11)7-12(2)8-10-5-4-6-13-10/h4-6,9H,3,7-8,11H2,1-2H3
InChIKeyQGANHHKWYGPHKA-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
7-thiophen-2-ylheptan-3-amine
CID 64505571
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
CID 55055156
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 43649767) is 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CCC(N)CN(C)Cc1cccs1.
What is the InChIKey of 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is QGANHHKWYGPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-9(11)7-12(2)8-10-5-4-6-13-10/h4-6,9H,3,7-8,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 198.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 43649767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).