8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane

C16H30N4 — CID 164904044

IUPAC8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC(CN3CCC4(CCNC4)CC3)N2)C1
InChIInChI=1S/C16H30N4/c1-19-7-5-16(13-19)10-14(18-16)11-20-8-3-15(4-9-20)2-6-17-12-15/h14,17-18H,2-13H2,1H3
InChIKeyPXWSSXJWEMHHML-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.50
Rot. Bonds2

About 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane

8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 164904044) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID164904044
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC(CN3CCC4(CCNC4)CC3)N2)C1
InChIInChI=1S/C16H30N4/c1-19-7-5-16(13-19)10-14(18-16)11-20-8-3-15(4-9-20)2-6-17-12-15/h14,17-18H,2-13H2,1H3
InChIKeyPXWSSXJWEMHHML-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 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 164904044) is 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane is CN1CCC2(CC(CN3CCC4(CCNC4)CC3)N2)C1.
What is the InChIKey of 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is PXWSSXJWEMHHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-19-7-5-16(13-19)10-14(18-16)11-20-8-3-15(4-9-20)2-6-17-12-15/h14,17-18H,2-13H2,1H3.
What are the key properties of 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane 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 8-[(7-methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 164904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).