(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine

C14H28N2O2 — CID 163402876

IUPAC(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
SMILESCC/C(C)=N\OCCCCCCO/N=C(\C)CC
InChIInChI=1S/C14H28N2O2/c1-5-13(3)15-17-11-9-7-8-10-12-18-16-14(4)6-2/h5-12H2,1-4H3/b15-13-,16-14+
InChIKeyANVZHXOPXOFNGZ-VCFJNTAESA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds11

About (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine

(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine (PubChem CID 163402876) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine.

Molecular Properties

Compound Name(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
PubChem CID163402876
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
SMILESCC/C(C)=N\OCCCCCCO/N=C(\C)CC
InChIInChI=1S/C14H28N2O2/c1-5-13(3)15-17-11-9-7-8-10-12-18-16-14(4)6-2/h5-12H2,1-4H3/b15-13-,16-14+
InChIKeyANVZHXOPXOFNGZ-VCFJNTAESA-N
XLogP4.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane
CID 144871456
N-ethoxybutan-2-imine
CID 54202913
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
(Z)-N-(trimethylsilylmethoxy)butan-2-imine
CID 102437237
(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine
CID 88539023
1-[(E)-butan-2-ylideneamino]oxypropan-2-ol
CID 18931756
2-decoxyguanidine
CID 154161085
2-dodecoxyguanidine
CID 158305776
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
N-(2-methylbutoxy)butan-2-imine
CID 123385525
O-(butan-2-ylideneamino)hydroxylamine
CID 141086083
N-silyloxybutan-2-imine
CID 123155500

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine?
The IUPAC name of (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine (CID 163402876) is (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine.
What is the SMILES notation for (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine?
The canonical SMILES for (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine is CC/C(C)=N\OCCCCCCO/N=C(\C)CC.
What is the InChIKey of (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine?
The InChIKey is ANVZHXOPXOFNGZ-VCFJNTAESA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-13(3)15-17-11-9-7-8-10-12-18-16-14(4)6-2/h5-12H2,1-4H3/b15-13-,16-14+.
What are the key properties of (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine?
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine has a molecular weight of 256.39 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine is sourced from PubChem (CID 163402876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).