1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine

C9H16N2O2 — CID 61024989

IUPAC1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1COCCO1
InChIInChI=1S/C9H16N2O2/c10-9-2-1-3-11(9)6-8-7-12-4-5-13-8/h8,10H,1-7H2/b10-9+
InChIKeyGCFOMPGQYDLFBC-MDZDMXLPSA-N
MW184.24 g/mol
LogP0.47
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine

1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine (PubChem CID 61024989) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine
PubChem CID61024989
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1COCCO1
InChIInChI=1S/C9H16N2O2/c10-9-2-1-3-11(9)6-8-7-12-4-5-13-8/h8,10H,1-7H2/b10-9+
InChIKeyGCFOMPGQYDLFBC-MDZDMXLPSA-N
XLogP0.47
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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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
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
1-(3-Morpholin-4-ylpropyl)pyrrolidin-2-imine
CID 43348237
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(pyrrolidin-1-yl)methanimine
CID 65351450
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine (CID 61024989) is 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine?
The InChIKey is GCFOMPGQYDLFBC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9-2-1-3-11(9)6-8-7-12-4-5-13-8/h8,10H,1-7H2/b10-9+.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine?
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine has a molecular weight of 184.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-imine is sourced from PubChem (CID 61024989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).