1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine

C9H16N2O2 — CID 65351450

IUPAC1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCCC1
InChIInChI=1S/C9H16N2O2/c10-9(11-3-1-2-4-11)8-7-12-5-6-13-8/h8,10H,1-7H2/b10-9-
InChIKeyHXPIXYFSQQRISQ-KTKRTIGZSA-N
MW184.24 g/mol
LogP0.47
Rot. Bonds1

About 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine

1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine (PubChem CID 65351450) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Name1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine
PubChem CID65351450
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCCC1
InChIInChI=1S/C9H16N2O2/c10-9(11-3-1-2-4-11)8-7-12-5-6-13-8/h8,10H,1-7H2/b10-9-
InChIKeyHXPIXYFSQQRISQ-KTKRTIGZSA-N
XLogP0.47
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
1-(1,4-Dioxan-2-ylmethyl)pyrrolidin-2-imine
CID 61024989
1-(1,4-Dioxan-2-ylmethyl)piperidin-2-imine
CID 61522959
1-[2-(2-Methoxyethoxy)ethyl]pyrrolidin-2-imine
CID 61850244
2-Ethoxy-1-pyrrolidin-1-ylpropan-1-imine
CID 64532830
N,N-diethyl-1,4-dioxane-2-carboximidamide
CID 65351400
1,4-Dioxan-2-yl(piperidin-1-yl)methanimine
CID 65351452
1,4-Dioxan-2-yl(morpholin-4-yl)methanimine
CID 65351500
1-[(4-Methylmorpholin-2-yl)methyl]pyrrolidin-2-imine
CID 79071739
(4-Methylmorpholin-2-yl)-pyrrolidin-1-ylmethanimine
CID 79089577
2-Methoxy-1-pyrrolidin-1-ylpropan-1-imine
CID 79605211

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine?
The IUPAC name of 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine (CID 65351450) is 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine.
What is the SMILES notation for 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine?
The canonical SMILES for 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine is [H]/N=C(/C1COCCO1)N1CCCC1.
What is the InChIKey of 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine?
The InChIKey is HXPIXYFSQQRISQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(11-3-1-2-4-11)8-7-12-5-6-13-8/h8,10H,1-7H2/b10-9-.
What are the key properties of 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine?
1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine has a molecular weight of 184.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(pyrrolidin-1-yl)methanimine is sourced from PubChem (CID 65351450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).