N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine

C12H25NO2 — CID 63559327

IUPACN-[2-(oxolan-3-yloxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)OC1CCOC1
InChIInChI=1S/C12H25NO2/c1-4-11(5-2)13-8-10(3)15-12-6-7-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyAXWIGFJZWDXLHH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine

N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine (PubChem CID 63559327) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yloxy)propyl]pentan-3-amine
PubChem CID63559327
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(oxolan-3-yloxy)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)OC1CCOC1
InChIInChI=1S/C12H25NO2/c1-4-11(5-2)13-8-10(3)15-12-6-7-14-9-12/h10-13H,4-9H2,1-3H3
InChIKeyAXWIGFJZWDXLHH-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine?
The IUPAC name of N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine (CID 63559327) is N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine is CCC(CC)NCC(C)OC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine?
The InChIKey is AXWIGFJZWDXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-11(5-2)13-8-10(3)15-12-6-7-14-9-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine?
N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yloxy)propyl]pentan-3-amine is sourced from PubChem (CID 63559327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).