3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

C38H79N7O — CID 167602372

IUPAC3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H24N2.C11H22N2O.C8H17N.C7H16N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-10(2)13-7-8-14-11(9-13)3-5-12-6-4-11;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9/h11,13H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyJXLWFOUXZLRNSA-UHFFFAOYSA-N
MW650.10 g/mol
LogP4.65
Rot. Bonds4

About 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (PubChem CID 167602372) has the molecular formula C38H79N7O and a molecular weight of 650.10 g/mol. Its IUPAC name is 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
PubChem CID167602372
Molecular FormulaC38H79N7O
Molecular Weight650.10 g/mol
Exact Mass649.63
IUPAC Name3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H24N2.C11H22N2O.C8H17N.C7H16N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-10(2)13-7-8-14-11(9-13)3-5-12-6-4-11;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9/h11,13H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyJXLWFOUXZLRNSA-UHFFFAOYSA-N
XLogP4.65
TPSA67.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.10
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

propan-2-ylcyclopentane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167698824
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
1-propan-2-ylazetidine;3-propan-2-yloxetane;1-propan-2-ylpiperazine
CID 159394206
10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702623
(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
CID 171748509
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
12-propan-2-yl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 135332795
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332
1-propan-2-ylpiperazine;vanadium
CID 162375922
8-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 162205455

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The IUPAC name of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (CID 167602372) is 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.
What is the SMILES notation for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The canonical SMILES for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is CC(C)C1CCNCC1.CC(C)N1CCC2(CCNCC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
The InChIKey is JXLWFOUXZLRNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2O.C8H17N.C7H16N2/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-10(2)13-7-8-14-11(9-13)3-5-12-6-4-11;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9/h11,13H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine has a molecular weight of 650.10 g/mol, XLogP of 4.65, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is sourced from PubChem (CID 167602372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).