(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane

C16H32N2 — CID 167004629

IUPAC(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane
SMILESCC(C)(C)[C@@H]1CCC2(CCN(C(C)(C)C)CC2)N1
InChIInChI=1S/C16H32N2/c1-14(2,3)13-7-8-16(17-13)9-11-18(12-10-16)15(4,5)6/h13,17H,7-12H2,1-6H3/t13-/m0/s1
InChIKeySBSRZJKWBGSGIA-ZDUSSCGKSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds

About (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane

(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane (PubChem CID 167004629) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane
PubChem CID167004629
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane
SMILESCC(C)(C)[C@@H]1CCC2(CCN(C(C)(C)C)CC2)N1
InChIInChI=1S/C16H32N2/c1-14(2,3)13-7-8-16(17-13)9-11-18(12-10-16)15(4,5)6/h13,17H,7-12H2,1-6H3/t13-/m0/s1
InChIKeySBSRZJKWBGSGIA-ZDUSSCGKSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 174065957
CID 174065957
8-tert-butyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 155396956
1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
CID 171424047
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
8-tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 155396955
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
5-tert-butyl-5-azaspiro[2.5]octan-8-amine
CID 160902227
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523

Frequently Asked Questions

What is the IUPAC name of (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane (CID 167004629) is (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane is CC(C)(C)[C@@H]1CCC2(CCN(C(C)(C)C)CC2)N1.
What is the InChIKey of (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane?
The InChIKey is SBSRZJKWBGSGIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2,3)13-7-8-16(17-13)9-11-18(12-10-16)15(4,5)6/h13,17H,7-12H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane?
(2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,8-ditert-butyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167004629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).