4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide

C15H28N2O2 — CID 80714723

IUPAC4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H28N2O2/c1-2-3-11(8-9-16)4-7-15(18)17-13-10-12-5-6-14(13)19-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyIBGDNKFZRJKDRU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds8

About 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide

4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide (PubChem CID 80714723) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide
PubChem CID80714723
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C15H28N2O2/c1-2-3-11(8-9-16)4-7-15(18)17-13-10-12-5-6-14(13)19-12/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyIBGDNKFZRJKDRU-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide (CID 80714723) is 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide is CCCC(CCN)CCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide?
The InChIKey is IBGDNKFZRJKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-11(8-9-16)4-7-15(18)17-13-10-12-5-6-14(13)19-12/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide?
4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)heptanamide is sourced from PubChem (CID 80714723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).