2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione

C19H34N2O2 — CID 15634103

IUPAC2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCCCC1(CCC)CCC2(CC1)CC(=O)N(CCCNC)C2=O
InChIInChI=1S/C19H34N2O2/c1-4-7-18(8-5-2)9-11-19(12-10-18)15-16(22)21(17(19)23)14-6-13-20-3/h20H,4-15H2,1-3H3
InChIKeyYHAWCWXJDIVMGO-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.50
Rot. Bonds8

About 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione

2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 15634103) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID15634103
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCCCC1(CCC)CCC2(CC1)CC(=O)N(CCCNC)C2=O
InChIInChI=1S/C19H34N2O2/c1-4-7-18(8-5-2)9-11-19(12-10-18)15-16(22)21(17(19)23)14-6-13-20-3/h20H,4-15H2,1-3H3
InChIKeyYHAWCWXJDIVMGO-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione (CID 15634103) is 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione is CCCC1(CCC)CCC2(CC1)CC(=O)N(CCCNC)C2=O.
What is the InChIKey of 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is YHAWCWXJDIVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-4-7-18(8-5-2)9-11-19(12-10-18)15-16(22)21(17(19)23)14-6-13-20-3/h20H,4-15H2,1-3H3.
What are the key properties of 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione?
2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 322.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propyl]-8,8-dipropyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 15634103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).