N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine

C12H26N2O — CID 62581621

IUPACN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCOCCN1CCCC1CNC(C)C
InChIInChI=1S/C12H26N2O/c1-4-15-9-8-14-7-5-6-12(14)10-13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyQKQNSGDDDIUZLR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62581621) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62581621
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCCOCCN1CCCC1CNC(C)C
InChIInChI=1S/C12H26N2O/c1-4-15-9-8-14-7-5-6-12(14)10-13-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyQKQNSGDDDIUZLR-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
N-[[1-(2-propoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 106453472
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 58858738
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62581621) is N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine is CCOCCN1CCCC1CNC(C)C.
What is the InChIKey of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is QKQNSGDDDIUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-9-8-14-7-5-6-12(14)10-13-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62581621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).