1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine

C10H20N2O — CID 20765496

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(11)12-6-5-9(7-12)13-10(2,3)4/h9,11H,5-7H2,1-4H3/b11-8+
InChIKeyRONXELNCHVBLKA-DHZHZOJOSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds1

About 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine

1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine (PubChem CID 20765496) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine
PubChem CID20765496
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(11)12-6-5-9(7-12)13-10(2,3)4/h9,11H,5-7H2,1-4H3/b11-8+
InChIKeyRONXELNCHVBLKA-DHZHZOJOSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)ethanimine
CID 18727527
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
(3R,4S)-1-ethanimidoyl-4-methoxy-3-methylpyrrolidin-3-ol
CID 126678732
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
1-(2-Ethoxyethyl)pyrrolidin-2-imine
CID 43591154
1-(1-Ethoxypropan-2-yl)pyrrolidin-2-imine
CID 61849826
1-[2-(3-Methylbutoxy)ethyl]pyrrolidin-2-imine
CID 61882369
1-(2-Butoxyethyl)pyrrolidin-2-imine
CID 61882573
1-(2,2,6-Trimethylmorpholin-4-yl)ethanimine
CID 63173032
1-(2,2,6-Trimethylmorpholin-4-yl)butan-1-imine
CID 63177380

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine (CID 20765496) is 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(OC(C)(C)C)C1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine?
The InChIKey is RONXELNCHVBLKA-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(11)12-6-5-9(7-12)13-10(2,3)4/h9,11H,5-7H2,1-4H3/b11-8+.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine?
1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine has a molecular weight of 184.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 20765496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).