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

C9H15N3 — CID 115227249

IUPACN-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
SMILESCNCNCCc1ccncc1
InChIInChI=1S/C9H15N3/c1-10-8-12-7-4-9-2-5-11-6-3-9/h2-3,5-6,10,12H,4,7-8H2,1H3
InChIKeyDURIYWGZTNPIAA-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.39
Rot. Bonds5

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

N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine (PubChem CID 115227249) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
PubChem CID115227249
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
SMILESCNCNCCc1ccncc1
InChIInChI=1S/C9H15N3/c1-10-8-12-7-4-9-2-5-11-6-3-9/h2-3,5-6,10,12H,4,7-8H2,1H3
InChIKeyDURIYWGZTNPIAA-UHFFFAOYSA-N
XLogP0.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 66045454
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
2-bromo-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 60904501
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine?
The IUPAC name of N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine (CID 115227249) is N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine?
The canonical SMILES for N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine is CNCNCCc1ccncc1.
What is the InChIKey of N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine?
The InChIKey is DURIYWGZTNPIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-10-8-12-7-4-9-2-5-11-6-3-9/h2-3,5-6,10,12H,4,7-8H2,1H3.
What are the key properties of N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine?
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine has a molecular weight of 165.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine is sourced from PubChem (CID 115227249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).