2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine

C35H51N5O3 — CID 145269301

About 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine

2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine (PubChem CID 145269301) has the molecular formula C35H51N5O3 and a molecular weight of 589.83 g/mol. Its IUPAC name is 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine.

Molecular Properties

• Compound Name: 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine
• PubChem CID: 145269301
• Molecular Formula: C35H51N5O3
• Molecular Weight: 589.83 g/mol
• Exact Mass: 589.40
• IUPAC Name: 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine
• SMILES: CN.CNC1CCN(C)CC1.Cc1ccc(COC2CCCC2)cc1C.Nc1ncc(-c2ccc(C=O)cc2)cc1C=O
• InChI: InChI=1S/C14H20O.C13H10N2O2.C7H16N2.CH5N/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14;14-13-12(8-17)5-11(6-15-13)10-3-1-9(7-16)2-4-10;1-8-7-3-5-9(2)6-4-7;1-2/h7-9,14H,3-6,10H2,1-2H3;1-8H,(H2,14,15);7-8H,3-6H2,1-2H3;2H2,1H3
• InChIKey: SBDATEGUPZFBIE-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 123.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.83
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine?

The IUPAC name of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine (CID 145269301) is 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine.

What is the SMILES notation for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine?

The canonical SMILES for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine is CN.CNC1CCN(C)CC1.Cc1ccc(COC2CCCC2)cc1C.Nc1ncc(-c2ccc(C=O)cc2)cc1C=O.

What is the InChIKey of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine?

The InChIKey is SBDATEGUPZFBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H10N2O2.C7H16N2.CH5N/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14;14-13-12(8-17)5-11(6-15-13)10-3-1-9(7-16)2-4-10;1-8-7-3-5-9(2)6-4-7;1-2/h7-9,14H,3-6,10H2,1-2H3;1-8H,(H2,14,15);7-8H,3-6H2,1-2H3;2H2,1H3.

What are the key properties of 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine?

2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine has a molecular weight of 589.83 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine is sourced from PubChem (CID 145269301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).