2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide

C15H28N2O2 — CID 80714494

IUPAC2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H28N2O2/c1-3-7-15(10-16,8-4-2)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyHELVNNVUBFFQMZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds7

About 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide

2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide (PubChem CID 80714494) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
PubChem CID80714494
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H28N2O2/c1-3-7-15(10-16,8-4-2)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyHELVNNVUBFFQMZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide (CID 80714494) is 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
The InChIKey is HELVNNVUBFFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-7-15(10-16,8-4-2)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,3-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide?
2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 80714494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).