8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane

C27H47N3 — CID 167142150

IUPAC8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESC1CCC2(CC1)CCC(C1CCC3(CC1)CCN(N1CCC4(CCNC4)CC1)C3)C2
InChIInChI=1S/C27H47N3/c1-2-7-25(8-3-1)9-6-24(20-25)23-4-10-27(11-5-23)15-19-30(22-27)29-17-13-26(14-18-29)12-16-28-21-26/h23-24,28H,1-22H2
InChIKeyKBGXNJIAPMCMDN-UHFFFAOYSA-N
MW413.69 g/mol
LogP5.61
Rot. Bonds2

About 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane

8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 167142150) has the molecular formula C27H47N3 and a molecular weight of 413.69 g/mol. Its IUPAC name is 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane
PubChem CID167142150
Molecular FormulaC27H47N3
Molecular Weight413.69 g/mol
Exact Mass413.38
IUPAC Name8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESC1CCC2(CC1)CCC(C1CCC3(CC1)CCN(N1CCC4(CCNC4)CC1)C3)C2
InChIInChI=1S/C27H47N3/c1-2-7-25(8-3-1)9-6-24(20-25)23-4-10-27(11-5-23)15-19-30(22-27)29-17-13-26(14-18-29)12-16-28-21-26/h23-24,28H,1-22H2
InChIKeyKBGXNJIAPMCMDN-UHFFFAOYSA-N
XLogP5.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.69
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-azaspiro[4.4]nonan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 166969066
3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
CID 123835848
(4aS,8aS)-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidine];hydrochloride
CID 131865526
10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
2-azaspiro[4.5]decane;ethene
CID 171834081
cyclobutyl(2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 83708252
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
8-fluoro-2-azaspiro[4.5]decane
CID 105430719
10-spiro[5.5]undecan-4-yl-1,4-diazaspiro[5.5]undecane
CID 138751441
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
2-azaspiro[4.4]nonan-8-amine
CID 71649078

Frequently Asked Questions

What is the IUPAC name of 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane (CID 167142150) is 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane is C1CCC2(CC1)CCC(C1CCC3(CC1)CCN(N1CCC4(CCNC4)CC1)C3)C2.
What is the InChIKey of 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is KBGXNJIAPMCMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3/c1-2-7-25(8-3-1)9-6-24(20-25)23-4-10-27(11-5-23)15-19-30(22-27)29-17-13-26(14-18-29)12-16-28-21-26/h23-24,28H,1-22H2.
What are the key properties of 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane?
8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 413.69 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-spiro[4.5]decan-3-yl-2-azaspiro[4.5]decan-2-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167142150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).