3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane

C19H35N3 — CID 146248908

IUPAC3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCC(N1CCC3(CCNCC3)CC1)CC2
InChIInChI=1S/C19H35N3/c1-3-18(5-11-20-12-6-18)4-2-17(1)22-15-9-19(10-16-22)7-13-21-14-8-19/h17,20-21H,1-16H2
InChIKeyCJNLCZGVRMSCQW-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.76
Rot. Bonds1

About 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane

3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 146248908) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID146248908
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCC(N1CCC3(CCNCC3)CC1)CC2
InChIInChI=1S/C19H35N3/c1-3-18(5-11-20-12-6-18)4-2-17(1)22-15-9-19(10-16-22)7-13-21-14-8-19/h17,20-21H,1-16H2
InChIKeyCJNLCZGVRMSCQW-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 169257836
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641602
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
4-(8-azaspiro[4.5]decan-3-yl)morpholine;hydrochloride
CID 169144139
(1S)-1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
CID 95216595
1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
CID 56716999
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-morpholin-4-ylmethanone;dihydrochloride
CID 154887650
N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine
CID 56719040
8-pyrrolidin-3-yl-8-azaspiro[4.5]decane
CID 63160445
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855

Frequently Asked Questions

What is the IUPAC name of 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane (CID 146248908) is 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane is C1CC2(CCN1)CCC(N1CCC3(CCNCC3)CC1)CC2.
What is the InChIKey of 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is CJNLCZGVRMSCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-3-18(5-11-20-12-6-18)4-2-17(1)22-15-9-19(10-16-22)7-13-21-14-8-19/h17,20-21H,1-16H2.
What are the key properties of 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane?
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 305.51 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 146248908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).