N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine

C10H17N3 — CID 115226456

IUPACN'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
SMILESCC(C)(CNCN)c1ccncc1
InChIInChI=1S/C10H17N3/c1-10(2,7-13-8-11)9-3-5-12-6-4-9/h3-6,13H,7-8,11H2,1-2H3
InChIKeyYEEPNADGORHWMI-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.87
Rot. Bonds4

About N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine

N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine (PubChem CID 115226456) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine.

Molecular Properties

Compound NameN'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
PubChem CID115226456
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
SMILESCC(C)(CNCN)c1ccncc1
InChIInChI=1S/C10H17N3/c1-10(2,7-13-8-11)9-3-5-12-6-4-9/h3-6,13H,7-8,11H2,1-2H3
InChIKeyYEEPNADGORHWMI-UHFFFAOYSA-N
XLogP0.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.87
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

3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
CID 115200944
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
N'-[2-methyl-2-(4-methylsulfonylphenyl)propyl]methanediamine
CID 115226420
4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
CID 115126478
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
2-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115209463
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
4-amino-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]benzonitrile
CID 115127355
3-[[(2-methyl-2-pyridin-4-ylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248256

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine?
The IUPAC name of N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine (CID 115226456) is N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine.
What is the SMILES notation for N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine?
The canonical SMILES for N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine is CC(C)(CNCN)c1ccncc1.
What is the InChIKey of N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine?
The InChIKey is YEEPNADGORHWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,7-13-8-11)9-3-5-12-6-4-9/h3-6,13H,7-8,11H2,1-2H3.
What are the key properties of N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine?
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine has a molecular weight of 179.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine is sourced from PubChem (CID 115226456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).