N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide

C15H31N5O2 — CID 59887181

IUPACN'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2N(N)ONC=NN
InChIInChI=1S/C15H31N5O2/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,(H,18,19)
InChIKeyNZEHTYOPAIBRQB-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.65
Rot. Bonds6

About N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide

N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide (PubChem CID 59887181) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide.

Molecular Properties

Compound NameN'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide
PubChem CID59887181
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC NameN'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2N(N)ONC=NN
InChIInChI=1S/C15H31N5O2/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,(H,18,19)
InChIKeyNZEHTYOPAIBRQB-UHFFFAOYSA-N
XLogP1.65
TPSA98.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.65
H-Bond Donors ≤ 53
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 N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide?
The IUPAC name of N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide (CID 59887181) is N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide.
What is the SMILES notation for N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide?
The canonical SMILES for N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide is CCC(C)(C)C1CCC2(CC1)OCCC2N(N)ONC=NN.
What is the InChIKey of N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide?
The InChIKey is NZEHTYOPAIBRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/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,(H,18,19).
What are the key properties of N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide?
N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide has a molecular weight of 313.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-[amino-[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino]oxymethanimidamide is sourced from PubChem (CID 59887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).