N'-(5-methyl-2-pyridinyl)methanediamine

C7H11N3 — CID 137383083

IUPACN'-(5-methyl-2-pyridinyl)methanediamine
SMILESCc1ccc(NCN)nc1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h2-4H,5,8H2,1H3,(H,9,10)
InChIKeyHQVNWNDLHTZLEW-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds2

About N'-(5-methyl-2-pyridinyl)methanediamine

N'-(5-methyl-2-pyridinyl)methanediamine (PubChem CID 137383083) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N'-(5-methyl-2-pyridinyl)methanediamine.

Molecular Properties

Compound NameN'-(5-methyl-2-pyridinyl)methanediamine
PubChem CID137383083
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN'-(5-methyl-2-pyridinyl)methanediamine
SMILESCc1ccc(NCN)nc1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h2-4H,5,8H2,1H3,(H,9,10)
InChIKeyHQVNWNDLHTZLEW-UHFFFAOYSA-N
XLogP0.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
CID 63767403
1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine
CID 63732659
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
2-cyclopropyl-2-N-(5-methyl-2-pyridinyl)propane-1,2-diamine
CID 115308081

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-2-pyridinyl)methanediamine?
The IUPAC name of N'-(5-methyl-2-pyridinyl)methanediamine (CID 137383083) is N'-(5-methyl-2-pyridinyl)methanediamine.
What is the SMILES notation for N'-(5-methyl-2-pyridinyl)methanediamine?
The canonical SMILES for N'-(5-methyl-2-pyridinyl)methanediamine is Cc1ccc(NCN)nc1.
What is the InChIKey of N'-(5-methyl-2-pyridinyl)methanediamine?
The InChIKey is HQVNWNDLHTZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h2-4H,5,8H2,1H3,(H,9,10).
What are the key properties of N'-(5-methyl-2-pyridinyl)methanediamine?
N'-(5-methyl-2-pyridinyl)methanediamine has a molecular weight of 137.19 g/mol, XLogP of 0.72, 2 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)methanediamine is sourced from PubChem (CID 137383083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).