N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride

C14H19ClN3S- — CID 45114124

IUPACN,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride
SMILESCN(C)CCN(Cc1cccs1)c1ccccn1.[Cl-]
InChIInChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H/p-1
InChIKeyBONORRGKLJBGRV-UHFFFAOYSA-M
MW296.85 g/mol
LogP-0.28
Rot. Bonds6

About N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride

N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride (PubChem CID 45114124) has the molecular formula C14H19ClN3S- and a molecular weight of 296.85 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride.

Molecular Properties

Compound NameN,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride
PubChem CID45114124
Molecular FormulaC14H19ClN3S-
Molecular Weight296.85 g/mol
Exact Mass296.10
IUPAC NameN,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride
SMILESCN(C)CCN(Cc1cccs1)c1ccccn1.[Cl-]
InChIInChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H/p-1
InChIKeyBONORRGKLJBGRV-UHFFFAOYSA-M
XLogP-0.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine
CID 19861119
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 23882701
methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide
CID 173388062
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
3-[methyl(pyridin-3-yl)amino]-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 88660766
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-[3-[(4-benzylimino-1-oxido-1,2,5-thiadiazolidin-1-ium-3-ylidene)amino]propyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 135986130
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride?
The IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride (CID 45114124) is N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride.
What is the SMILES notation for N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride?
The canonical SMILES for N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride is CN(C)CCN(Cc1cccs1)c1ccccn1.[Cl-].
What is the InChIKey of N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride?
The InChIKey is BONORRGKLJBGRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H/p-1.
What are the key properties of N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride?
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride has a molecular weight of 296.85 g/mol, XLogP of -0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride is sourced from PubChem (CID 45114124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).