N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C17H26N4S — CID 46989448

IUPACN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCNc1ncccc1CN(CCN(C)C)Cc1sccc1C
InChIInChI=1S/C17H26N4S/c1-14-7-11-22-16(14)13-21(10-9-20(3)4)12-15-6-5-8-19-17(15)18-2/h5-8,11H,9-10,12-13H2,1-4H3,(H,18,19)
InChIKeyZYXZPHOVEOEILD-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.06
Rot. Bonds8

About N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 46989448) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID46989448
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCNc1ncccc1CN(CCN(C)C)Cc1sccc1C
InChIInChI=1S/C17H26N4S/c1-14-7-11-22-16(14)13-21(10-9-20(3)4)12-15-6-5-8-19-17(15)18-2/h5-8,11H,9-10,12-13H2,1-4H3,(H,18,19)
InChIKeyZYXZPHOVEOEILD-UHFFFAOYSA-N
XLogP3.06
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46989151
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 62472100
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 46990966
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 46989448) is N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is CNc1ncccc1CN(CCN(C)C)Cc1sccc1C.
What is the InChIKey of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is ZYXZPHOVEOEILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-14-7-11-22-16(14)13-21(10-9-20(3)4)12-15-6-5-8-19-17(15)18-2/h5-8,11H,9-10,12-13H2,1-4H3,(H,18,19).
What are the key properties of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 318.49 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46989448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).