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

C10H17N3 — CID 3154224

IUPACN',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1ccccn1
InChIInChI=1S/C10H17N3/c1-13(2)8-7-11-9-10-5-3-4-6-12-10/h3-6,11H,7-9H2,1-2H3
InChIKeyDBEIHURZAFSRSR-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.73
Rot. Bonds5

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

N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 3154224) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID3154224
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1ccccn1
InChIInChI=1S/C10H17N3/c1-13(2)8-7-11-9-10-5-3-4-6-12-10/h3-6,11H,7-9H2,1-2H3
InChIKeyDBEIHURZAFSRSR-UHFFFAOYSA-N
XLogP0.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 3154224) is N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(C)CCNCc1ccccn1.
What is the InChIKey of N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DBEIHURZAFSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13(2)8-7-11-9-10-5-3-4-6-12-10/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 3154224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).