(3R)-3-(butoxymethyl)pyrrolidin-1-amine

C9H20N2O — CID 89150613

IUPAC(3R)-3-(butoxymethyl)pyrrolidin-1-amine
SMILESCCCCOC[C@@H]1CCN(N)C1
InChIInChI=1S/C9H20N2O/c1-2-3-6-12-8-9-4-5-11(10)7-9/h9H,2-8,10H2,1H3/t9-/m1/s1
InChIKeyATLPEUIDHSIRPX-SECBINFHSA-N
MW172.27 g/mol
LogP1.00
Rot. Bonds5

About (3R)-3-(butoxymethyl)pyrrolidin-1-amine

(3R)-3-(butoxymethyl)pyrrolidin-1-amine (PubChem CID 89150613) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-3-(butoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(3R)-3-(butoxymethyl)pyrrolidin-1-amine
PubChem CID89150613
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R)-3-(butoxymethyl)pyrrolidin-1-amine
SMILESCCCCOC[C@@H]1CCN(N)C1
InChIInChI=1S/C9H20N2O/c1-2-3-6-12-8-9-4-5-11(10)7-9/h9H,2-8,10H2,1H3/t9-/m1/s1
InChIKeyATLPEUIDHSIRPX-SECBINFHSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(butoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (3R)-3-(butoxymethyl)pyrrolidin-1-amine (CID 89150613) is (3R)-3-(butoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (3R)-3-(butoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (3R)-3-(butoxymethyl)pyrrolidin-1-amine is CCCCOC[C@@H]1CCN(N)C1.
What is the InChIKey of (3R)-3-(butoxymethyl)pyrrolidin-1-amine?
The InChIKey is ATLPEUIDHSIRPX-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-6-12-8-9-4-5-11(10)7-9/h9H,2-8,10H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(butoxymethyl)pyrrolidin-1-amine?
(3R)-3-(butoxymethyl)pyrrolidin-1-amine has a molecular weight of 172.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(butoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 89150613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).