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

C9H16N4 — CID 91315804

IUPAC3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
SMILESCN(C)CCNc1cccnc1N
InChIInChI=1S/C9H16N4/c1-13(2)7-6-11-8-4-3-5-12-9(8)10/h3-5,11H,6-7H2,1-2H3,(H2,10,12)
InChIKeyDHUDVQSQMSOWAR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.64
Rot. Bonds4

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

3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine (PubChem CID 91315804) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
PubChem CID91315804
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
SMILESCN(C)CCNc1cccnc1N
InChIInChI=1S/C9H16N4/c1-13(2)7-6-11-8-4-3-5-12-9(8)10/h3-5,11H,6-7H2,1-2H3,(H2,10,12)
InChIKeyDHUDVQSQMSOWAR-UHFFFAOYSA-N
XLogP0.64
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
CID 104540629
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
CID 106426053
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394504

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine (CID 91315804) is 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine is CN(C)CCNc1cccnc1N.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The InChIKey is DHUDVQSQMSOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13(2)7-6-11-8-4-3-5-12-9(8)10/h3-5,11H,6-7H2,1-2H3,(H2,10,12).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 91315804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).