N-methyl-N'-pyridin-3-ylmethanediamine

C7H11N3 — CID 115226589

IUPACN-methyl-N'-pyridin-3-ylmethanediamine
SMILESCNCNc1cccnc1
InChIInChI=1S/C7H11N3/c1-8-6-10-7-3-2-4-9-5-7/h2-5,8,10H,6H2,1H3
InChIKeyRSWALXKBEJETCZ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.67
Rot. Bonds3

About N-methyl-N'-pyridin-3-ylmethanediamine

N-methyl-N'-pyridin-3-ylmethanediamine (PubChem CID 115226589) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-methyl-N'-pyridin-3-ylmethanediamine.

Molecular Properties

Compound NameN-methyl-N'-pyridin-3-ylmethanediamine
PubChem CID115226589
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-methyl-N'-pyridin-3-ylmethanediamine
SMILESCNCNc1cccnc1
InChIInChI=1S/C7H11N3/c1-8-6-10-7-3-2-4-9-5-7/h2-5,8,10H,6H2,1H3
InChIKeyRSWALXKBEJETCZ-UHFFFAOYSA-N
XLogP0.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.67
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

ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(2-methylbutyl)pyridin-3-amine
CID 43200734
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626
N-bromopyridin-3-amine
CID 87128938
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
N-methylsulfanylpyridin-3-amine
CID 126541026
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N',N'-bis(2-methoxyethyl)-N-pyridin-3-ylethane-1,2-diamine
CID 67897474

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-pyridin-3-ylmethanediamine?
The IUPAC name of N-methyl-N'-pyridin-3-ylmethanediamine (CID 115226589) is N-methyl-N'-pyridin-3-ylmethanediamine.
What is the SMILES notation for N-methyl-N'-pyridin-3-ylmethanediamine?
The canonical SMILES for N-methyl-N'-pyridin-3-ylmethanediamine is CNCNc1cccnc1.
What is the InChIKey of N-methyl-N'-pyridin-3-ylmethanediamine?
The InChIKey is RSWALXKBEJETCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-8-6-10-7-3-2-4-9-5-7/h2-5,8,10H,6H2,1H3.
What are the key properties of N-methyl-N'-pyridin-3-ylmethanediamine?
N-methyl-N'-pyridin-3-ylmethanediamine has a molecular weight of 137.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-pyridin-3-ylmethanediamine is sourced from PubChem (CID 115226589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).