4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine

C12H22N4 — CID 61359414

IUPAC4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
SMILESCCN(CC)CCN(C)c1ccncc1N
InChIInChI=1S/C12H22N4/c1-4-16(5-2)9-8-15(3)12-6-7-14-10-11(12)13/h6-7,10H,4-5,8-9,13H2,1-3H3
InChIKeyHQUYPSMDIDRREU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.44
Rot. Bonds6

About 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine

4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine (PubChem CID 61359414) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
PubChem CID61359414
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
SMILESCCN(CC)CCN(C)c1ccncc1N
InChIInChI=1S/C12H22N4/c1-4-16(5-2)9-8-15(3)12-6-7-14-10-11(12)13/h6-7,10H,4-5,8-9,13H2,1-3H3
InChIKeyHQUYPSMDIDRREU-UHFFFAOYSA-N
XLogP1.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine (CID 61359414) is 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine is CCN(CC)CCN(C)c1ccncc1N.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is HQUYPSMDIDRREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-16(5-2)9-8-15(3)12-6-7-14-10-11(12)13/h6-7,10H,4-5,8-9,13H2,1-3H3.
What are the key properties of 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine?
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 61359414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).