ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane

C23H48N4 — CID 164857966

IUPACethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane
SMILESCC.CCCN1CC2(CCN(CC)C2)C1.CCCN1CCC2(CN(C)C2)C1
InChIInChI=1S/C11H22N2.C10H20N2.C2H6/c1-3-6-13-9-11(10-13)5-7-12(4-2)8-11;1-3-5-12-6-4-10(9-12)7-11(2)8-10;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;1-2H3
InChIKeyPAKZOBLJOFEROV-UHFFFAOYSA-N
MW380.67 g/mol
LogP3.48
Rot. Bonds5

About ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane

ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane (PubChem CID 164857966) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane
PubChem CID164857966
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Nameethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane
SMILESCC.CCCN1CC2(CCN(CC)C2)C1.CCCN1CCC2(CN(C)C2)C1
InChIInChI=1S/C11H22N2.C10H20N2.C2H6/c1-3-6-13-9-11(10-13)5-7-12(4-2)8-11;1-3-5-12-6-4-10(9-12)7-11(2)8-10;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;1-2H3
InChIKeyPAKZOBLJOFEROV-UHFFFAOYSA-N
XLogP3.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane?
The IUPAC name of ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane (CID 164857966) is ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane?
The canonical SMILES for ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane is CC.CCCN1CC2(CCN(CC)C2)C1.CCCN1CCC2(CN(C)C2)C1.
What is the InChIKey of ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane?
The InChIKey is PAKZOBLJOFEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H20N2.C2H6/c1-3-6-13-9-11(10-13)5-7-12(4-2)8-11;1-3-5-12-6-4-10(9-12)7-11(2)8-10;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane?
ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane has a molecular weight of 380.67 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-propyl-2,7-diazaspiro[3.4]octane;2-methyl-6-propyl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 164857966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).