5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine

C10H19NO2 — CID 163864393

IUPAC5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1COC(C)OC1
InChIInChI=1S/C10H19NO2/c1-8(11)4-3-5-10-6-12-9(2)13-7-10/h9-11H,3-7H2,1-2H3/b11-8+
InChIKeyPFJFJUWLFLVLGF-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds4

About 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine

5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine (PubChem CID 163864393) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine
PubChem CID163864393
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1COC(C)OC1
InChIInChI=1S/C10H19NO2/c1-8(11)4-3-5-10-6-12-9(2)13-7-10/h9-11H,3-7H2,1-2H3/b11-8+
InChIKeyPFJFJUWLFLVLGF-DHZHZOJOSA-N
XLogP2.21
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine?
The IUPAC name of 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine (CID 163864393) is 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine.
What is the SMILES notation for 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine?
The canonical SMILES for 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine is [H]/N=C(\C)CCCC1COC(C)OC1.
What is the InChIKey of 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine?
The InChIKey is PFJFJUWLFLVLGF-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(11)4-3-5-10-6-12-9(2)13-7-10/h9-11H,3-7H2,1-2H3/b11-8+.
What are the key properties of 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine?
5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine has a molecular weight of 185.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-dioxan-5-yl)pentan-2-imine is sourced from PubChem (CID 163864393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).