2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde

C15H25N3O — CID 78427224

IUPAC2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde
SMILESCCN(CC)CCCCNCc1cc(C=O)ccn1
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3
InChIKeyNHIASYVLWXWKDU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds10

About 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde

2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde (PubChem CID 78427224) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde
PubChem CID78427224
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde
SMILESCCN(CC)CCCCNCc1cc(C=O)ccn1
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3
InChIKeyNHIASYVLWXWKDU-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde (CID 78427224) is 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde is CCN(CC)CCCCNCc1cc(C=O)ccn1.
What is the InChIKey of 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde?
The InChIKey is NHIASYVLWXWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3.
What are the key properties of 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde?
2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde has a molecular weight of 263.38 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 78427224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).