N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine

C11H20N2S — CID 115252656

IUPACN-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCNCC(CNc1cccs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-9(2)10(7-12-3)8-13-11-5-4-6-14-11/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyFJFRGMWRNPDHSV-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine

N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine (PubChem CID 115252656) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
PubChem CID115252656
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
SMILESCNCC(CNc1cccs1)C(C)C
InChIInChI=1S/C11H20N2S/c1-9(2)10(7-12-3)8-13-11-5-4-6-14-11/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyFJFRGMWRNPDHSV-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
CID 115254214
2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115251177
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-propylthiophen-2-amine;hydrochloride
CID 22714339
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389
ethane;N-methylthiophen-2-amine
CID 144863562
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-methyl-4-(thiophen-2-ylamino)butanoic acid
CID 115220490
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine (CID 115252656) is N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine is CNCC(CNc1cccs1)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is FJFRGMWRNPDHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)10(7-12-3)8-13-11-5-4-6-14-11/h4-6,9-10,12-13H,7-8H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine?
N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).