3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine

C9H18N4 — CID 68586961

IUPAC3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine
SMILESCN(C)CCC1(N)C=CC=NC1N
InChIInChI=1S/C9H18N4/c1-13(2)7-5-9(11)4-3-6-12-8(9)10/h3-4,6,8H,5,7,10-11H2,1-2H3
InChIKeyZLYURANJOKXSRO-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.44
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine

3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine (PubChem CID 68586961) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine
PubChem CID68586961
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine
SMILESCN(C)CCC1(N)C=CC=NC1N
InChIInChI=1S/C9H18N4/c1-13(2)7-5-9(11)4-3-6-12-8(9)10/h3-4,6,8H,5,7,10-11H2,1-2H3
InChIKeyZLYURANJOKXSRO-UHFFFAOYSA-N
XLogP-0.44
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine (CID 68586961) is 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine is CN(C)CCC1(N)C=CC=NC1N.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine?
The InChIKey is ZLYURANJOKXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-13(2)7-5-9(11)4-3-6-12-8(9)10/h3-4,6,8H,5,7,10-11H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine?
3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine has a molecular weight of 182.27 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2H-pyridine-2,3-diamine is sourced from PubChem (CID 68586961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).