2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane

C21H40N4 — CID 126724829

IUPAC2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane
SMILESCN1CCC2(C1)CN(C(C)(C)CCC(C)(C)N1CC3(CCNC3)C1)C2
InChIInChI=1S/C21H40N4/c1-18(2,24-14-20(15-24)8-10-22-12-20)6-7-19(3,4)25-16-21(17-25)9-11-23(5)13-21/h22H,6-17H2,1-5H3
InChIKeyNZCTUCKONXMLFQ-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.26
Rot. Bonds5

About 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane

2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane (PubChem CID 126724829) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane
PubChem CID126724829
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane
SMILESCN1CCC2(C1)CN(C(C)(C)CCC(C)(C)N1CC3(CCNC3)C1)C2
InChIInChI=1S/C21H40N4/c1-18(2,24-14-20(15-24)8-10-22-12-20)6-7-19(3,4)25-16-21(17-25)9-11-23(5)13-21/h22H,6-17H2,1-5H3
InChIKeyNZCTUCKONXMLFQ-UHFFFAOYSA-N
XLogP2.26
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 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) is 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane is CN1CCC2(C1)CN(C(C)(C)CCC(C)(C)N1CC3(CCNC3)C1)C2.
What is the InChIKey of 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane?
The InChIKey is NZCTUCKONXMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-18(2,24-14-20(15-24)8-10-22-12-20)6-7-19(3,4)25-16-21(17-25)9-11-23(5)13-21/h22H,6-17H2,1-5H3.
What are the key properties of 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane?
2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane has a molecular weight of 348.58 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,7-diazaspiro[3.4]octan-2-yl)-2,5-dimethylhexan-2-yl]-7-methyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 126724829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).