N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine

C9H20N2O — CID 64974363

IUPACN-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCONCCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-2-12-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyMOVFMYCZVQYSIG-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds6

About N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine

N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 64974363) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID64974363
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCONCCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-2-12-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyMOVFMYCZVQYSIG-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
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

2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
1-[3-(azepan-1-yl)propyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111324730
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
CID 162323144
CID 162323144
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine (CID 64974363) is N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine is CCONCCCN1CCCC1.
What is the InChIKey of N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is MOVFMYCZVQYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-12-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3.
What are the key properties of N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine?
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 64974363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).