6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one

C13H26N4O — CID 101251967

IUPAC6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
SMILESO=C1CCC12CNCCNCCCNCCNC2
InChIInChI=1S/C13H26N4O/c18-12-2-3-13(12)10-16-8-6-14-4-1-5-15-7-9-17-11-13/h14-17H,1-11H2
InChIKeyHGVSMWKEMPNHTD-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.90
Rot. Bonds

About 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one

6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one (PubChem CID 101251967) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one.

Molecular Properties

Compound Name6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
PubChem CID101251967
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
SMILESO=C1CCC12CNCCNCCCNCCNC2
InChIInChI=1S/C13H26N4O/c18-12-2-3-13(12)10-16-8-6-14-4-1-5-15-7-9-17-11-13/h14-17H,1-11H2
InChIKeyHGVSMWKEMPNHTD-UHFFFAOYSA-N
XLogP-0.90
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Aminoethylamino)-2-[(2-aminoethylamino)methyl]-4,4-dimethylpentan-3-one
CID 176864142
7,10,14,17-Tetrazaspiro[4.13]octadecan-4-one
CID 101251962
2,5,9,12,18,21,25,28-Octazadispiro[13.1.1316.114]triacontan-30-one
CID 101251965
N-(2-aminoethyl)-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448386

Frequently Asked Questions

What is the IUPAC name of 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one?
The IUPAC name of 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one (CID 101251967) is 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one.
What is the SMILES notation for 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one?
The canonical SMILES for 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one is O=C1CCC12CNCCNCCCNCCNC2.
What is the InChIKey of 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one?
The InChIKey is HGVSMWKEMPNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c18-12-2-3-13(12)10-16-8-6-14-4-1-5-15-7-9-17-11-13/h14-17H,1-11H2.
What are the key properties of 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one?
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one has a molecular weight of 254.38 g/mol, XLogP of -0.90, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one is sourced from PubChem (CID 101251967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).