2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C12H24N2O — CID 154684414

IUPAC2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCOCCN1CC2CC1CN2C(C)C
InChIInChI=1S/C12H24N2O/c1-4-15-6-5-13-8-12-7-11(13)9-14(12)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyGYRJDHCNUPANGE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds5

About 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 154684414) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID154684414
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCOCCN1CC2CC1CN2C(C)C
InChIInChI=1S/C12H24N2O/c1-4-15-6-5-13-8-12-7-11(13)9-14(12)10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyGYRJDHCNUPANGE-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
CID 99868082
4-(5-Methylpyrrolidin-3-yl)morpholine
CID 119030994
(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonitrile
CID 11564638
1-(2-Propan-2-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 53516556
4-[(3S)-1-ethylpyrrolidin-3-yl]morpholine
CID 10607561
4-[(1-Methylpyrrolidin-2-yl)methyl]morpholine
CID 13023581
4-{[(2S)-1-methylpyrrolidin-2-yl]methyl}morpholine
CID 13023582
2-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
CID 16639277
4-(1-Methylpyrrolidin-3-yl)morpholine
CID 18723163
1-(2-Methoxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 53516152
4-[(1-Butylpyrrolidin-2-yl)methyl]morpholine
CID 54021094

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 154684414) is 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CCOCCN1CC2CC1CN2C(C)C.
What is the InChIKey of 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GYRJDHCNUPANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-15-6-5-13-8-12-7-11(13)9-14(12)10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 154684414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).