6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine

C16H28N2O2 — CID 43262506

IUPAC6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
SMILESCCCCCCCOc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-11-19-15-10-9-14(17)16(18-15)20-12-13(2)3/h9-10,13H,4-8,11-12,17H2,1-3H3
InChIKeyQMVRSBPHBBWGGB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.05
Rot. Bonds10

About 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine

6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 43262506) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID43262506
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
SMILESCCCCCCCOc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-11-19-15-10-9-14(17)16(18-15)20-12-13(2)3/h9-10,13H,4-8,11-12,17H2,1-3H3
InChIKeyQMVRSBPHBBWGGB-UHFFFAOYSA-N
XLogP4.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-2-propoxypyridin-3-amine
CID 43262487
6-[2-(diethylamino)ethoxy]-2-(2-methylpropoxy)pyridin-3-amine
CID 61103240
2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
CID 43262507
2-ethoxy-6-(3-methylbutoxy)pyridin-3-amine
CID 43262247
6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
CID 43262302
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
2-methoxy-6-(4-methylpentoxy)pyridin-3-amine
CID 43262525
6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
6-(4-methylpentan-2-yloxy)-2-propoxypyridin-3-amine
CID 43262325
2-(cyclopropylmethoxy)-6-(4-methylpentoxy)pyridin-3-amine
CID 43262521
6-methoxy-2-propoxypyridin-3-amine
CID 43261942

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine (CID 43262506) is 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine is CCCCCCCOc1ccc(N)c(OCC(C)C)n1.
What is the InChIKey of 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is QMVRSBPHBBWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-8-11-19-15-10-9-14(17)16(18-15)20-12-13(2)3/h9-10,13H,4-8,11-12,17H2,1-3H3.
What are the key properties of 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine?
6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 280.41 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 43262506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).