N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine

C12H25N3 — CID 66181848

IUPACN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C1CNC1)C1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3/c1-4-15(12-7-13-8-12)11-5-6-14(9-11)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyYGVVGBVBSNDDFX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine

N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 66181848) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID66181848
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C1CNC1)C1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3/c1-4-15(12-7-13-8-12)11-5-6-14(9-11)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyYGVVGBVBSNDDFX-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine (CID 66181848) is N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine is CCN(C1CNC1)C1CCN(C(C)C)C1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is YGVVGBVBSNDDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-15(12-7-13-8-12)11-5-6-14(9-11)10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine?
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 66181848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).