N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

C11H19N3 — CID 62664659

IUPACN-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(NCCNC(C)C)nc1
InChIInChI=1S/C11H19N3/c1-9(2)12-6-7-13-11-5-4-10(3)8-14-11/h4-5,8-9,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyXCNKEPPQXOJOOU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.80
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62664659) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62664659
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(NCCNC(C)C)nc1
InChIInChI=1S/C11H19N3/c1-9(2)12-6-7-13-11-5-4-10(3)8-14-11/h4-5,8-9,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyXCNKEPPQXOJOOU-UHFFFAOYSA-N
XLogP1.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-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

4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N'-(6-bromo-3-propan-2-ylquinolin-2-yl)-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 166321836

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (CID 62664659) is N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is Cc1ccc(NCCNC(C)C)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XCNKEPPQXOJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)12-6-7-13-11-5-4-10(3)8-14-11/h4-5,8-9,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62664659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).