N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine

C12H21N3 — CID 62253337

IUPACN',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncccc1C
InChIInChI=1S/C12H21N3/c1-4-15(5-2)10-9-14-12-11(3)7-6-8-13-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyCEZMGANDORMGBU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds6

About N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine

N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 62253337) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID62253337
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncccc1C
InChIInChI=1S/C12H21N3/c1-4-15(5-2)10-9-14-12-11(3)7-6-8-13-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14)
InChIKeyCEZMGANDORMGBU-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
CID 82570281
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine (CID 62253337) is N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine is CCN(CC)CCNc1ncccc1C.
What is the InChIKey of N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is CEZMGANDORMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15(5-2)10-9-14-12-11(3)7-6-8-13-12/h6-8H,4-5,9-10H2,1-3H3,(H,13,14).
What are the key properties of N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62253337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).