8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide

C14H25N3O2 — CID 138016363

IUPAC8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCC2CCOCC2)CC12CCC2
InChIInChI=1S/C14H25N3O2/c15-12-9-17(10-14(12)4-1-5-14)13(18)16-8-11-2-6-19-7-3-11/h11-12H,1-10,15H2,(H,16,18)
InChIKeyNEKPDEBBNAZOLB-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.94
Rot. Bonds2

About 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide

8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 138016363) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID138016363
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCC2CCOCC2)CC12CCC2
InChIInChI=1S/C14H25N3O2/c15-12-9-17(10-14(12)4-1-5-14)13(18)16-8-11-2-6-19-7-3-11/h11-12H,1-10,15H2,(H,16,18)
InChIKeyNEKPDEBBNAZOLB-UHFFFAOYSA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide (CID 138016363) is 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide is NC1CN(C(=O)NCC2CCOCC2)CC12CCC2.
What is the InChIKey of 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is NEKPDEBBNAZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-12-9-17(10-14(12)4-1-5-14)13(18)16-8-11-2-6-19-7-3-11/h11-12H,1-10,15H2,(H,16,18).
What are the key properties of 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide?
8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 138016363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).