1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane

C23H44N4 — CID 138608101

IUPAC1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(CCC(CC(C)N3CC4(CCN(C)CC4)C3)N2C)C1
InChIInChI=1S/C23H44N4/c1-19(2)26-12-6-8-23(18-26)9-7-21(25(23)5)15-20(3)27-16-22(17-27)10-13-24(4)14-11-22/h19-21H,6-18H2,1-5H3
InChIKeyABRHNPGTFBCMAO-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.13
Rot. Bonds4

About 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane

1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane (PubChem CID 138608101) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane
PubChem CID138608101
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(CCC(CC(C)N3CC4(CCN(C)CC4)C3)N2C)C1
InChIInChI=1S/C23H44N4/c1-19(2)26-12-6-8-23(18-26)9-7-21(25(23)5)15-20(3)27-16-22(17-27)10-13-24(4)14-11-22/h19-21H,6-18H2,1-5H3
InChIKeyABRHNPGTFBCMAO-UHFFFAOYSA-N
XLogP3.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane (CID 138608101) is 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane is CC(C)N1CCCC2(CCC(CC(C)N3CC4(CCN(C)CC4)C3)N2C)C1.
What is the InChIKey of 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane?
The InChIKey is ABRHNPGTFBCMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-19(2)26-12-6-8-23(18-26)9-7-21(25(23)5)15-20(3)27-16-22(17-27)10-13-24(4)14-11-22/h19-21H,6-18H2,1-5H3.
What are the key properties of 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane?
1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane has a molecular weight of 376.63 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)propyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 138608101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).