3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde

C14H20N2O — CID 146537374

IUPAC3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde
SMILESCCCc1ccc(NCC2CC(C=O)C2)nc1
InChIInChI=1S/C14H20N2O/c1-2-3-11-4-5-14(15-8-11)16-9-12-6-13(7-12)10-17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyJCGDCUBBMGOXLH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds6

About 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde

3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde (PubChem CID 146537374) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde
PubChem CID146537374
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde
SMILESCCCc1ccc(NCC2CC(C=O)C2)nc1
InChIInChI=1S/C14H20N2O/c1-2-3-11-4-5-14(15-8-11)16-9-12-6-13(7-12)10-17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyJCGDCUBBMGOXLH-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde?
The IUPAC name of 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde (CID 146537374) is 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde is CCCc1ccc(NCC2CC(C=O)C2)nc1.
What is the InChIKey of 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde?
The InChIKey is JCGDCUBBMGOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-11-4-5-14(15-8-11)16-9-12-6-13(7-12)10-17/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde?
3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-propyl-2-pyridinyl)amino]methyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 146537374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).