N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C12H22N2S — CID 92864149

IUPACN'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC[C@@H](C)N(CCCN)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-3-11(2)14(8-5-7-13)10-12-6-4-9-15-12/h4,6,9,11H,3,5,7-8,10,13H2,1-2H3/t11-/m1/s1
InChIKeyUYBXHGRUMLNCFN-LLVKDONJSA-N
MW226.39 g/mol
LogP2.70
Rot. Bonds7

About N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 92864149) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID92864149
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCC[C@@H](C)N(CCCN)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-3-11(2)14(8-5-7-13)10-12-6-4-9-15-12/h4,6,9,11H,3,5,7-8,10,13H2,1-2H3/t11-/m1/s1
InChIKeyUYBXHGRUMLNCFN-LLVKDONJSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 104681857
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79487562

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 92864149) is N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CC[C@@H](C)N(CCCN)Cc1cccs1.
What is the InChIKey of N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is UYBXHGRUMLNCFN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-11(2)14(8-5-7-13)10-12-6-4-9-15-12/h4,6,9,11H,3,5,7-8,10,13H2,1-2H3/t11-/m1/s1.
What are the key properties of N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 92864149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).