(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine

C13H28N2O2 — CID 69174884

IUPAC(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine
SMILESCCCCOC[C@H]1CN(N)CC1OCCCC
InChIInChI=1S/C13H28N2O2/c1-3-5-7-16-11-12-9-15(14)10-13(12)17-8-6-4-2/h12-13H,3-11,14H2,1-2H3/t12-,13?/m1/s1
InChIKeyNMRHVLCFFXOOKD-PZORYLMUSA-N
MW244.38 g/mol
LogP1.79
Rot. Bonds9

About (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine

(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine (PubChem CID 69174884) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine
PubChem CID69174884
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine
SMILESCCCCOC[C@H]1CN(N)CC1OCCCC
InChIInChI=1S/C13H28N2O2/c1-3-5-7-16-11-12-9-15(14)10-13(12)17-8-6-4-2/h12-13H,3-11,14H2,1-2H3/t12-,13?/m1/s1
InChIKeyNMRHVLCFFXOOKD-PZORYLMUSA-N
XLogP1.79
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine (CID 69174884) is (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine is CCCCOC[C@H]1CN(N)CC1OCCCC.
What is the InChIKey of (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine?
The InChIKey is NMRHVLCFFXOOKD-PZORYLMUSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-5-7-16-11-12-9-15(14)10-13(12)17-8-6-4-2/h12-13H,3-11,14H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine?
(4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-butoxy-4-(butoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 69174884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).