3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C12H26N2O — CID 60691309

IUPAC3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(C)OCCCNCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2)15-11-5-6-13-7-10-14-8-3-4-9-14/h12-13H,3-11H2,1-2H3
InChIKeyDRBHNCMMMSZMLN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds8

About 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 60691309) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID60691309
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(C)OCCCNCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2)15-11-5-6-13-7-10-14-8-3-4-9-14/h12-13H,3-11H2,1-2H3
InChIKeyDRBHNCMMMSZMLN-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 60691309) is 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CC(C)OCCCNCCN1CCCC1.
What is the InChIKey of 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is DRBHNCMMMSZMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)15-11-5-6-13-7-10-14-8-3-4-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 60691309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).