2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine

C16H29N3O2 — CID 115498330

IUPAC2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCN(CCOC)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)18-14-8-6-9-15(17-14)19(11-13-21-5)10-7-12-20-4/h6,8-9H,7,10-13H2,1-5H3,(H,17,18)
InChIKeyFNAXFAKVLBHOKM-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.78
Rot. Bonds9

About 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine

2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine (PubChem CID 115498330) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
PubChem CID115498330
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
SMILESCOCCCN(CCOC)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)18-14-8-6-9-15(17-14)19(11-13-21-5)10-7-12-20-4/h6,8-9H,7,10-13H2,1-5H3,(H,17,18)
InChIKeyFNAXFAKVLBHOKM-UHFFFAOYSA-N
XLogP2.78
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine (CID 115498330) is 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine is COCCCN(CCOC)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
The InChIKey is FNAXFAKVLBHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)18-14-8-6-9-15(17-14)19(11-13-21-5)10-7-12-20-4/h6,8-9H,7,10-13H2,1-5H3,(H,17,18).
What are the key properties of 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine?
2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine has a molecular weight of 295.43 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine is sourced from PubChem (CID 115498330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).