ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate

C15H29NO3 — CID 54890377

IUPACethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate
SMILESCCCC(CCC)(NCC1CCCO1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-9-15(10-5-2,14(17)18-6-3)16-12-13-8-7-11-19-13/h13,16H,4-12H2,1-3H3
InChIKeySGGZWUXSDRCVEO-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds9

About ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate

ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate (PubChem CID 54890377) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate
PubChem CID54890377
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate
SMILESCCCC(CCC)(NCC1CCCO1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-9-15(10-5-2,14(17)18-6-3)16-12-13-8-7-11-19-13/h13,16H,4-12H2,1-3H3
InChIKeySGGZWUXSDRCVEO-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate?
The IUPAC name of ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate (CID 54890377) is ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate.
What is the SMILES notation for ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate?
The canonical SMILES for ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate is CCCC(CCC)(NCC1CCCO1)C(=O)OCC.
What is the InChIKey of ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate?
The InChIKey is SGGZWUXSDRCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-9-15(10-5-2,14(17)18-6-3)16-12-13-8-7-11-19-13/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate?
ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate has a molecular weight of 271.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-2-ylmethylamino)-2-propylpentanoate is sourced from PubChem (CID 54890377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).