N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine

C8H18N2O2 — CID 169201787

IUPACN-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine
SMILESCNOCCN1CCC(OC)C1
InChIInChI=1S/C8H18N2O2/c1-9-12-6-5-10-4-3-8(7-10)11-2/h8-9H,3-7H2,1-2H3
InChIKeyJFSVCYHGKBCEPF-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.14
Rot. Bonds5

About N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine

N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine (PubChem CID 169201787) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine
PubChem CID169201787
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine
SMILESCNOCCN1CCC(OC)C1
InChIInChI=1S/C8H18N2O2/c1-9-12-6-5-10-4-3-8(7-10)11-2/h8-9H,3-7H2,1-2H3
InChIKeyJFSVCYHGKBCEPF-UHFFFAOYSA-N
XLogP-0.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine (CID 169201787) is N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine is CNOCCN1CCC(OC)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine?
The InChIKey is JFSVCYHGKBCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-9-12-6-5-10-4-3-8(7-10)11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine?
N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine has a molecular weight of 174.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)ethoxy]methanamine is sourced from PubChem (CID 169201787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).