1-(3-methoxypropyl)pyrrolidin-3-amine

C8H18N2O — CID 22393508

IUPAC1-(3-methoxypropyl)pyrrolidin-3-amine
SMILESCOCCCN1CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7,9H2,1H3
InChIKeyGCVLARWQLRGGKZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.06
Rot. Bonds4

About 1-(3-methoxypropyl)pyrrolidin-3-amine

1-(3-methoxypropyl)pyrrolidin-3-amine (PubChem CID 22393508) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)pyrrolidin-3-amine
PubChem CID22393508
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(3-methoxypropyl)pyrrolidin-3-amine
SMILESCOCCCN1CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7,9H2,1H3
InChIKeyGCVLARWQLRGGKZ-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.06
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-methoxypropyl)pyrrolidin-3-amine (CID 22393508) is 1-(3-methoxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)pyrrolidin-3-amine is COCCCN1CCC(N)C1.
What is the InChIKey of 1-(3-methoxypropyl)pyrrolidin-3-amine?
The InChIKey is GCVLARWQLRGGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(3-methoxypropyl)pyrrolidin-3-amine?
1-(3-methoxypropyl)pyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 22393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).