2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane

C18H34N4 — CID 138601304

IUPAC2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC2(CN(CC(C)N3CC4(CCCN4)C3)C2)C1
InChIInChI=1S/C18H34N4/c1-15(2)21-8-6-17(12-21)10-20(11-17)9-16(3)22-13-18(14-22)5-4-7-19-18/h15-16,19H,4-14H2,1-3H3
InChIKeyMFXFCIPARSLPQS-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane

2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 138601304) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID138601304
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC2(CN(CC(C)N3CC4(CCCN4)C3)C2)C1
InChIInChI=1S/C18H34N4/c1-15(2)21-8-6-17(12-21)10-20(11-17)9-16(3)22-13-18(14-22)5-4-7-19-18/h15-16,19H,4-14H2,1-3H3
InChIKeyMFXFCIPARSLPQS-UHFFFAOYSA-N
XLogP1.23
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-azetidin-2-yl]methyl]-1-[1-[[(2R)-azetidin-2-yl]methyl]-5-[1-[[(2S)-azetidin-2-yl]methyl]pyrrolidin-3-yl]pyrrolidin-3-yl]-N-ethylethanamine
CID 126580681
2-[5-(2,7-Diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane
CID 126724829
2-[2-(2,5-Diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane
CID 126759678
5-(6-Tert-butyl-2,6-diazaspiro[3.4]octan-3-yl)-2-[2,3-dimethyl-3-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)butan-2-yl]-2,7-diazaspiro[3.4]octane
CID 129149577
2-(2,7-diazaspiro[4.4]nonan-2-yl)-N-methyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]ethanamine
CID 132262763
2-[1-[[1-(1-Tert-butylazetidin-3-yl)azetidin-3-yl]amino]-2-methylpropan-2-yl]-2-azaspiro[3.3]heptan-6-amine
CID 155392391
2-Propan-2-yl-2,6-diazaspiro[3.3]heptane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;7-propan-2-yl-1,7-diazaspiro[4.4]nonane
CID 161479355
5-Piperidin-4-yl-2,5-diazaspiro[3.4]octane
CID 162741933
2-Methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
CID 162742084
8-[(7-Methyl-1,7-diazaspiro[3.4]octan-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 164904044
1-(2,5-Diazaspiro[3.4]octan-7-yl)-1,7-diazaspiro[3.4]octane
CID 167199390
N-tert-butyl-N',N'-dimethylbutane-1,4-diamine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;N,N-dibutyl-4,4-dimethylpentan-1-amine;N,N-diethyl-4,4-dimethylpentan-1-amine;4,4-dimethyl-N,N-di(propan-2-yl)pentan-1-amine;4,4-dimethyl-N,N-dipropylpentan-1-amine;1-(5,5-dimethylhexyl)azetidine;1-(5,5-dimethylhexyl)piperidine;1-(4,4-dimethylpentyl)azetidine;1-(4,4-dimethylpentyl)pyrrolidine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 167627502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane (CID 138601304) is 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane is CC(C)N1CCC2(CN(CC(C)N3CC4(CCCN4)C3)C2)C1.
What is the InChIKey of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is MFXFCIPARSLPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-15(2)21-8-6-17(12-21)10-20(11-17)9-16(3)22-13-18(14-22)5-4-7-19-18/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane?
2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 306.50 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 138601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).