N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline

C16H27N5O2 — CID 172966869

IUPACN-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline
SMILESCCC(C)/C(C)=N/OCc1c(C)cccc1NCOCN=NN
InChIInChI=1S/C16H27N5O2/c1-5-12(2)14(4)20-23-9-15-13(3)7-6-8-16(15)18-10-22-11-19-21-17/h6-8,12,18H,5,9-11H2,1-4H3,(H2,17,19)/b20-14+
InChIKeyRRVQPRUMYNKKBB-XSFVSMFZSA-N
MW321.43 g/mol
LogP3.60
Rot. Bonds10

About N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline

N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline (PubChem CID 172966869) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline.

Molecular Properties

Compound NameN-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline
PubChem CID172966869
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline
SMILESCCC(C)/C(C)=N/OCc1c(C)cccc1NCOCN=NN
InChIInChI=1S/C16H27N5O2/c1-5-12(2)14(4)20-23-9-15-13(3)7-6-8-16(15)18-10-22-11-19-21-17/h6-8,12,18H,5,9-11H2,1-4H3,(H2,17,19)/b20-14+
InChIKeyRRVQPRUMYNKKBB-XSFVSMFZSA-N
XLogP3.60
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline?
The IUPAC name of N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline (CID 172966869) is N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline.
What is the SMILES notation for N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline?
The canonical SMILES for N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline is CCC(C)/C(C)=N/OCc1c(C)cccc1NCOCN=NN.
What is the InChIKey of N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline?
The InChIKey is RRVQPRUMYNKKBB-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-12(2)14(4)20-23-9-15-13(3)7-6-8-16(15)18-10-22-11-19-21-17/h6-8,12,18H,5,9-11H2,1-4H3,(H2,17,19)/b20-14+.
What are the key properties of N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline?
N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline has a molecular weight of 321.43 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(aminodiazenyl)methoxymethyl]-3-methyl-2-[[(E)-3-methylpentan-2-ylideneamino]oxymethyl]aniline is sourced from PubChem (CID 172966869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).