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

C16H24N4S — CID 46989151

IUPACN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCNc1ncccc1CN(CCN(C)C)Cc1ccsc1
InChIInChI=1S/C16H24N4S/c1-17-16-15(5-4-7-18-16)12-20(9-8-19(2)3)11-14-6-10-21-13-14/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,17,18)
InChIKeyHZARSTDEERKFPD-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.75
Rot. Bonds8

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

N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46989151) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID46989151
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCNc1ncccc1CN(CCN(C)C)Cc1ccsc1
InChIInChI=1S/C16H24N4S/c1-17-16-15(5-4-7-18-16)12-20(9-8-19(2)3)11-14-6-10-21-13-14/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,17,18)
InChIKeyHZARSTDEERKFPD-UHFFFAOYSA-N
XLogP2.75
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46989448
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171442406
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46993076
N-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]quinolin-2-amine
CID 62182225
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893438
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63069142
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
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62146077
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278910

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 46989151) is N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CNc1ncccc1CN(CCN(C)C)Cc1ccsc1.
What is the InChIKey of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HZARSTDEERKFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-17-16-15(5-4-7-18-16)12-20(9-8-19(2)3)11-14-6-10-21-13-14/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 2.75, 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'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46989151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).