2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine

C16H26N2O2 — CID 43262507

IUPAC2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-11-19-15-10-9-14(17)16(18-15)20-12-13-7-8-13/h9-10,13H,2-8,11-12,17H2,1H3
InChIKeyYTXFVPGNBJFIEC-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.80
Rot. Bonds10

About 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine

2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine (PubChem CID 43262507) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
PubChem CID43262507
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-11-19-15-10-9-14(17)16(18-15)20-12-13-7-8-13/h9-10,13H,2-8,11-12,17H2,1H3
InChIKeyYTXFVPGNBJFIEC-UHFFFAOYSA-N
XLogP3.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.80
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

2-(cyclopropylmethoxy)-6-(3-methoxypropoxy)pyridin-3-amine
CID 54936573
6-hexoxy-2-propoxypyridin-3-amine
CID 43262487
2-(cyclopropylmethoxy)-6-(4-methylpentoxy)pyridin-3-amine
CID 43262521
2-(cyclopropylmethoxy)-6-(2-propan-2-yloxyethoxy)pyridin-3-amine
CID 43262301
2-(cyclopropylmethoxy)-6-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559953
6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
CID 43262506
6-(2-cyclopropylethoxy)-2-ethoxypyridin-3-amine
CID 106199648
6-(cyclopropylmethoxy)-2-N-methyl-2-N-pentylpyridine-2,5-diamine
CID 43294716
2-(cyclopropylmethoxy)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43261927
2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine
CID 43262556
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
6-[(5-chloro-3-pyridinyl)oxy]-2-(cyclopropylmethoxy)pyridin-3-amine
CID 64601345

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine (CID 43262507) is 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine is CCCCCCCOc1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine?
The InChIKey is YTXFVPGNBJFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-6-11-19-15-10-9-14(17)16(18-15)20-12-13-7-8-13/h9-10,13H,2-8,11-12,17H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine?
2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine is sourced from PubChem (CID 43262507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).