N-methylmethanamine;2-pyridin-4-ylacetaldehyde

C9H14N2O — CID 144882029

IUPACN-methylmethanamine;2-pyridin-4-ylacetaldehyde
SMILESCNC.O=CCc1ccncc1
InChIInChI=1S/C7H7NO.C2H7N/c9-6-3-7-1-4-8-5-2-7;1-3-2/h1-2,4-6H,3H2;3H,1-2H3
InChIKeyBTJYLMXXNFSKOE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.66
Rot. Bonds2

About N-methylmethanamine;2-pyridin-4-ylacetaldehyde

N-methylmethanamine;2-pyridin-4-ylacetaldehyde (PubChem CID 144882029) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-methylmethanamine;2-pyridin-4-ylacetaldehyde.

Molecular Properties

Compound NameN-methylmethanamine;2-pyridin-4-ylacetaldehyde
PubChem CID144882029
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-methylmethanamine;2-pyridin-4-ylacetaldehyde
SMILESCNC.O=CCc1ccncc1
InChIInChI=1S/C7H7NO.C2H7N/c9-6-3-7-1-4-8-5-2-7;1-3-2/h1-2,4-6H,3H2;3H,1-2H3
InChIKeyBTJYLMXXNFSKOE-UHFFFAOYSA-N
XLogP0.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-ylacetaldehyde
CID 18688704
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
4-[(Z)-pent-2-enyl]pyridine
CID 23253538
3-methyl-4-(pyridin-4-ylmethyl)benzaldehyde
CID 81447720
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
(E)-2-methyl-4-pyridin-4-ylbut-2-enoic acid
CID 70254138
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-(ethylideneamino)-2-pyridin-4-ylethanimine
CID 151069423
2-pyridin-4-ylethylidenehydrazine
CID 70447853
N-(pyridin-4-ylmethoxy)methanamine
CID 87262654
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
CID 62551222

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-pyridin-4-ylacetaldehyde?
The IUPAC name of N-methylmethanamine;2-pyridin-4-ylacetaldehyde (CID 144882029) is N-methylmethanamine;2-pyridin-4-ylacetaldehyde.
What is the SMILES notation for N-methylmethanamine;2-pyridin-4-ylacetaldehyde?
The canonical SMILES for N-methylmethanamine;2-pyridin-4-ylacetaldehyde is CNC.O=CCc1ccncc1.
What is the InChIKey of N-methylmethanamine;2-pyridin-4-ylacetaldehyde?
The InChIKey is BTJYLMXXNFSKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H7N/c9-6-3-7-1-4-8-5-2-7;1-3-2/h1-2,4-6H,3H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;2-pyridin-4-ylacetaldehyde?
N-methylmethanamine;2-pyridin-4-ylacetaldehyde has a molecular weight of 166.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-pyridin-4-ylacetaldehyde is sourced from PubChem (CID 144882029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).