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

C14H19N3Se — CID 3024699

IUPACN,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc[se]1)c1ccccn1
InChIInChI=1S/C14H19N3Se/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
InChIKeyMRHSQARURHMPOG-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.71
Rot. Bonds6

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

N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 3024699) has the molecular formula C14H19N3Se and a molecular weight of 308.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID3024699
Molecular FormulaC14H19N3Se
Molecular Weight308.29 g/mol
Exact Mass309.07
IUPAC NameN,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc[se]1)c1ccccn1
InChIInChI=1S/C14H19N3Se/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
InChIKeyMRHSQARURHMPOG-UHFFFAOYSA-N
XLogP1.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine (CID 3024699) is N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccc[se]1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is MRHSQARURHMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3Se/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.
What are the key properties of N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 308.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 3024699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).