1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine

C11H20N2S — CID 62428863

IUPAC1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)C(C)c1cccs1
InChIInChI=1S/C11H20N2S/c1-9(8-12-3)13(4)10(2)11-6-5-7-14-11/h5-7,9-10,12H,8H2,1-4H3
InChIKeyMXACUCBBVMIPNN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.35
Rot. Bonds5

About 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine

1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine (PubChem CID 62428863) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
PubChem CID62428863
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)C(C)c1cccs1
InChIInChI=1S/C11H20N2S/c1-9(8-12-3)13(4)10(2)11-6-5-7-14-11/h5-7,9-10,12H,8H2,1-4H3
InChIKeyMXACUCBBVMIPNN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
CID 62431010
2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83055013
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine (CID 62428863) is 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine is CNCC(C)N(C)C(C)c1cccs1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
The InChIKey is MXACUCBBVMIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(8-12-3)13(4)10(2)11-6-5-7-14-11/h5-7,9-10,12H,8H2,1-4H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 62428863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).