3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane

C16H30N4 — CID 146188671

IUPAC3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(CC(CN3CCC4(CCCN4)C3)CN2)C1
InChIInChI=1S/C16H30N4/c1-19-7-4-16(12-19)9-14(10-18-16)11-20-8-5-15(13-20)3-2-6-17-15/h14,17-18H,2-13H2,1H3
InChIKeyFTRDRAWOZMDVAJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.50
Rot. Bonds2

About 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane

3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane (PubChem CID 146188671) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane
PubChem CID146188671
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane
SMILESCN1CCC2(CC(CN3CCC4(CCCN4)C3)CN2)C1
InChIInChI=1S/C16H30N4/c1-19-7-4-16(12-19)9-14(10-18-16)11-20-8-5-15(13-20)3-2-6-17-15/h14,17-18H,2-13H2,1H3
InChIKeyFTRDRAWOZMDVAJ-UHFFFAOYSA-N
XLogP0.50
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane (CID 146188671) is 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane is CN1CCC2(CC(CN3CCC4(CCCN4)C3)CN2)C1.
What is the InChIKey of 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane?
The InChIKey is FTRDRAWOZMDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-19-7-4-16(12-19)9-14(10-18-16)11-20-8-5-15(13-20)3-2-6-17-15/h14,17-18H,2-13H2,1H3.
What are the key properties of 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane?
3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane has a molecular weight of 278.44 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-diazaspiro[4.4]nonan-7-ylmethyl)-7-methyl-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 146188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).