2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C13H24N2S — CID 62847316

IUPAC2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCNC(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-11(2)15(10-13(3,4)14-5)9-12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3
InChIKeyLQSRUEMWVQFLDS-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.96
Rot. Bonds6

About 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62847316) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62847316
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCNC(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C13H24N2S/c1-11(2)15(10-13(3,4)14-5)9-12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3
InChIKeyLQSRUEMWVQFLDS-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
CID 79621848
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62847316) is 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CNC(C)(C)CN(Cc1cccs1)C(C)C.
What is the InChIKey of 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is LQSRUEMWVQFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(2)15(10-13(3,4)14-5)9-12-7-6-8-16-12/h6-8,11,14H,9-10H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62847316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).