N-ethoxy-2-pyrrolidin-1-ylethanamine

C8H18N2O — CID 103864704

IUPACN-ethoxy-2-pyrrolidin-1-ylethanamine
SMILESCCONCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-2-11-9-5-8-10-6-3-4-7-10/h9H,2-8H2,1H3
InChIKeyUHHNHXMHNSABIL-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.62
Rot. Bonds5

About N-ethoxy-2-pyrrolidin-1-ylethanamine

N-ethoxy-2-pyrrolidin-1-ylethanamine (PubChem CID 103864704) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-ethoxy-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethoxy-2-pyrrolidin-1-ylethanamine
PubChem CID103864704
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-ethoxy-2-pyrrolidin-1-ylethanamine
SMILESCCONCCN1CCCC1
InChIInChI=1S/C8H18N2O/c1-2-11-9-5-8-10-6-3-4-7-10/h9H,2-8H2,1H3
InChIKeyUHHNHXMHNSABIL-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710876
2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 107911835
N-methoxy-2-pyrrolidin-1-ylethanamine
CID 22899273
3-methoxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60684468
N-methoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64973731
N-ethoxy-1-methylpyrrolidin-3-amine
CID 82709120
N-butoxypyrrolidin-3-amine
CID 89322428
2-(1,2-Oxazolidin-2-yl)ethan-1-amine
CID 104101481
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
1-methylpyrrolidine;N-propan-2-yloxymethanamine
CID 166533682
N,N'-dibutyl-N'-ethoxyethane-1,2-diamine
CID 174428408
4-(1,2-Oxazolidin-2-yl)butan-1-amine
CID 174498619

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-ethoxy-2-pyrrolidin-1-ylethanamine (CID 103864704) is N-ethoxy-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-ethoxy-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-ethoxy-2-pyrrolidin-1-ylethanamine is CCONCCN1CCCC1.
What is the InChIKey of N-ethoxy-2-pyrrolidin-1-ylethanamine?
The InChIKey is UHHNHXMHNSABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-11-9-5-8-10-6-3-4-7-10/h9H,2-8H2,1H3.
What are the key properties of N-ethoxy-2-pyrrolidin-1-ylethanamine?
N-ethoxy-2-pyrrolidin-1-ylethanamine has a molecular weight of 158.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 103864704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).