amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide

C15H30N5O2- — CID 59887180

IUPACamino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2N(N)O/N=C/[N-]N
InChIInChI=1S/C15H30N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)20(17)22-19-11-18-16/h11-13H,4-10,16-17H2,1-3H3/q-1
InChIKeyBBORWHZHURGLBI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.44
Rot. Bonds6

About amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide

amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide (PubChem CID 59887180) has the molecular formula C15H30N5O2- and a molecular weight of 312.44 g/mol. Its IUPAC name is amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide.

Molecular Properties

Compound Nameamino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide
PubChem CID59887180
Molecular FormulaC15H30N5O2-
Molecular Weight312.44 g/mol
Exact Mass312.24
IUPAC Nameamino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2N(N)O/N=C/[N-]N
InChIInChI=1S/C15H30N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)20(17)22-19-11-18-16/h11-13H,4-10,16-17H2,1-3H3/q-1
InChIKeyBBORWHZHURGLBI-UHFFFAOYSA-N
XLogP2.44
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide?
The IUPAC name of amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide (CID 59887180) is amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide.
What is the SMILES notation for amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide?
The canonical SMILES for amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide is CCC(C)(C)C1CCC2(CC1)OCCC2N(N)O/N=C/[N-]N.
What is the InChIKey of amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide?
The InChIKey is BBORWHZHURGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)20(17)22-19-11-18-16/h11-13H,4-10,16-17H2,1-3H3/q-1.
What are the key properties of amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide?
amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide has a molecular weight of 312.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(E)-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxyiminomethyl]azanide is sourced from PubChem (CID 59887180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).