8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol

C19H31N3O — CID 130222936

IUPAC8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCCCN1C(O)NCC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C19H31N3O/c1-4-14-22-17(23)20-15-18(22)10-12-19(13-11-18,21(2)3)16-8-6-5-7-9-16/h5-9,17,20,23H,4,10-15H2,1-3H3
InChIKeyLUKUGXOCTCLSTK-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.35
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 130222936) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID130222936
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCCCN1C(O)NCC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C19H31N3O/c1-4-14-22-17(23)20-15-18(22)10-12-19(13-11-18,21(2)3)16-8-6-5-7-9-16/h5-9,17,20,23H,4,10-15H2,1-3H3
InChIKeyLUKUGXOCTCLSTK-UHFFFAOYSA-N
XLogP2.35
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol (CID 130222936) is 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol is CCCN1C(O)NCC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is LUKUGXOCTCLSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-14-22-17(23)20-15-18(22)10-12-19(13-11-18,21(2)3)16-8-6-5-7-9-16/h5-9,17,20,23H,4,10-15H2,1-3H3.
What are the key properties of 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 317.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 130222936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).