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

C25H45N3O3 — CID 153344596

IUPAC4-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
SMILESC/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2.C=CCCCNCC
InChIInChI=1S/C18H30N2O3.C7H15N/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18;1-3-5-6-7-8-4-2/h15-16,21H,4-12H2,1-3H3;3,8H,1,4-7H2,2H3/b14-13-;
InChIKeyORKIPFRORPBQKY-HPWRNOGASA-N
MW435.65 g/mol
LogP4.03
Rot. Bonds9

About 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

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 (PubChem CID 153344596) has the molecular formula C25H45N3O3 and a molecular weight of 435.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID153344596
Molecular FormulaC25H45N3O3
Molecular Weight435.65 g/mol
Exact Mass435.35
IUPAC Name4-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
SMILESC/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2.C=CCCCNCC
InChIInChI=1S/C18H30N2O3.C7H15N/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18;1-3-5-6-7-8-4-2/h15-16,21H,4-12H2,1-3H3;3,8H,1,4-7H2,2H3/b14-13-;
InChIKeyORKIPFRORPBQKY-HPWRNOGASA-N
XLogP4.03
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 54.03
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

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
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
9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971258
4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 153344597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(O)=C(\C)CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C)O2.C=CCCCNCC.
What is the InChIKey of 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?
The InChIKey is ORKIPFRORPBQKY-HPWRNOGASA-N. The full InChI is InChI=1S/C18H30N2O3.C7H15N/c1-13(14(2)21)6-9-19-10-7-18(8-11-19)12-20(16-4-5-16)17(22)15(3)23-18;1-3-5-6-7-8-4-2/h15-16,21H,4-12H2,1-3H3;3,8H,1,4-7H2,2H3/b14-13-;.
What are the key properties of 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?
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 has a molecular weight of 435.65 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).