[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine

C18H18N2O2 — CID 140957660

IUPAC[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine
SMILESNCOC1=C2C=CCc3ccc4cccc(c4c32)C1OCN
InChIInChI=1S/C18H18N2O2/c19-9-21-17-13-5-1-3-11-7-8-12-4-2-6-14(16(12)15(11)13)18(17)22-10-20/h1-3,5-8,17H,4,9-10,19-20H2
InChIKeyKVCUUFHWXJKTBF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.58
Rot. Bonds4

About [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine

[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine (PubChem CID 140957660) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine.

Molecular Properties

Compound Name[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine
PubChem CID140957660
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine
SMILESNCOC1=C2C=CCc3ccc4cccc(c4c32)C1OCN
InChIInChI=1S/C18H18N2O2/c19-9-21-17-13-5-1-3-11-7-8-12-4-2-6-14(16(12)15(11)13)18(17)22-10-20/h1-3,5-8,17H,4,9-10,19-20H2
InChIKeyKVCUUFHWXJKTBF-UHFFFAOYSA-N
XLogP2.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine?
The IUPAC name of [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine (CID 140957660) is [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine.
What is the SMILES notation for [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine?
The canonical SMILES for [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine is NCOC1=C2C=CCc3ccc4cccc(c4c32)C1OCN.
What is the InChIKey of [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine?
The InChIKey is KVCUUFHWXJKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-9-21-17-13-5-1-3-11-7-8-12-4-2-6-14(16(12)15(11)13)18(17)22-10-20/h1-3,5-8,17H,4,9-10,19-20H2.
What are the key properties of [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine?
[5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine has a molecular weight of 294.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethoxy)-4,8-dihydropyren-4-yl]oxymethanamine is sourced from PubChem (CID 140957660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).