1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane

C25H46N4 — CID 138518246

IUPAC1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane
SMILESC1CNCNCCCC(C2CCC3(CCNC3C3CCNCC34CCC4)CC2)C1
InChIInChI=1S/C25H46N4/c1-4-20(5-2-15-28-19-27-14-1)21-6-11-24(12-7-21)13-17-29-23(24)22-8-16-26-18-25(22)9-3-10-25/h20-23,26-29H,1-19H2
InChIKeyHKFRTPINCYIUFW-UHFFFAOYSA-N
MW402.67 g/mol
LogP3.63
Rot. Bonds2

About 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane

1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane (PubChem CID 138518246) has the molecular formula C25H46N4 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane
PubChem CID138518246
Molecular FormulaC25H46N4
Molecular Weight402.67 g/mol
Exact Mass402.37
IUPAC Name1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane
SMILESC1CNCNCCCC(C2CCC3(CCNC3C3CCNCC34CCC4)CC2)C1
InChIInChI=1S/C25H46N4/c1-4-20(5-2-15-28-19-27-14-1)21-6-11-24(12-7-21)13-17-29-23(24)22-8-16-26-18-25(22)9-3-10-25/h20-23,26-29H,1-19H2
InChIKeyHKFRTPINCYIUFW-UHFFFAOYSA-N
XLogP3.63
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane?
The IUPAC name of 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane (CID 138518246) is 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane?
The canonical SMILES for 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane is C1CNCNCCCC(C2CCC3(CCNC3C3CCNCC34CCC4)CC2)C1.
What is the InChIKey of 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane?
The InChIKey is HKFRTPINCYIUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4/c1-4-20(5-2-15-28-19-27-14-1)21-6-11-24(12-7-21)13-17-29-23(24)22-8-16-26-18-25(22)9-3-10-25/h20-23,26-29H,1-19H2.
What are the key properties of 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane?
1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane has a molecular weight of 402.67 g/mol, XLogP of 3.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[3.5]nonan-9-yl)-8-(1,3-diazecan-7-yl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 138518246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).