2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine

C24H45N3O3 — CID 153344594

IUPAC2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
SMILESC=CCCCNCC.CCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O
InChIInChI=1S/C17H30N2O3.C7H15N/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20;1-3-5-6-7-8-4-2/h15,20H,5-12H2,1-4H3;3,8H,1,4-7H2,2H3/b14-13-;
InChIKeyFXKNEJFIBYGTTH-HPWRNOGASA-N
MW423.64 g/mol
LogP3.89
Rot. Bonds9

About 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine

2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine (PubChem CID 153344594) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
PubChem CID153344594
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Name2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
SMILESC=CCCCNCC.CCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O
InChIInChI=1S/C17H30N2O3.C7H15N/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20;1-3-5-6-7-8-4-2/h15,20H,5-12H2,1-4H3;3,8H,1,4-7H2,2H3/b14-13-;
InChIKeyFXKNEJFIBYGTTH-HPWRNOGASA-N
XLogP3.89
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-9-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971324
ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971257
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971290
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971327
butane;9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971329
4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
CID 153344596
(2R)-2-ethyl-2-prop-2-enylmorpholine;(2R)-2-ethyl-2-prop-2-enylmorpholin-3-one
CID 164993986
9-[(2E)-5-ethoxy-4-ethyl-2-methylhepta-2,6-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144334581
9-[(5-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144334978
9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971258
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971330
2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 153344595

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine?
The IUPAC name of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine (CID 153344594) is 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine.
What is the SMILES notation for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine?
The canonical SMILES for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine is C=CCCCNCC.CCC1OC2(CCN(CC/C(C)=C(/C)O)CC2)CN(C)C1=O.
What is the InChIKey of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine?
The InChIKey is FXKNEJFIBYGTTH-HPWRNOGASA-N. The full InChI is InChI=1S/C17H30N2O3.C7H15N/c1-5-15-16(21)18(4)12-17(22-15)7-10-19(11-8-17)9-6-13(2)14(3)20;1-3-5-6-7-8-4-2/h15,20H,5-12H2,1-4H3;3,8H,1,4-7H2,2H3/b14-13-;.
What are the key properties of 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine?
2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine has a molecular weight of 423.64 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine is sourced from PubChem (CID 153344594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).