ethane;(Z)-N-ethoxybutan-1-imine

C8H19NO — CID 164540102

IUPACethane;(Z)-N-ethoxybutan-1-imine
SMILESCC.CCC/C=N\OCC
InChIInChI=1S/C6H13NO.C2H6/c1-3-5-6-7-8-4-2;1-2/h6H,3-5H2,1-2H3;1-2H3/b7-6-;
InChIKeyIWZCTIFHLJOXOG-NAFXZHHSSA-N
MW145.25 g/mol
LogP2.84
Rot. Bonds4

About ethane;(Z)-N-ethoxybutan-1-imine

ethane;(Z)-N-ethoxybutan-1-imine (PubChem CID 164540102) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;(Z)-N-ethoxybutan-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethoxybutan-1-imine
PubChem CID164540102
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;(Z)-N-ethoxybutan-1-imine
SMILESCC.CCC/C=N\OCC
InChIInChI=1S/C6H13NO.C2H6/c1-3-5-6-7-8-4-2;1-2/h6H,3-5H2,1-2H3;1-2H3/b7-6-;
InChIKeyIWZCTIFHLJOXOG-NAFXZHHSSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
(Z)-N-ethoxyethanimine
CID 5466565
(E)-N-pentoxypentan-1-imine
CID 18714719
4-ethoxyiminobutane-2-thiol
CID 151550749
N-ethoxy-3-(3-methylphenyl)propan-1-imine
CID 54106266
N-triethoxysilylbutan-1-imine
CID 175093493
(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
CID 58684278
(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
CID 58714329
(Z)-butylidenehydrazine
CID 143347514
3-(butylideneamino)oxypropyl 4-methylbenzenesulfonate
CID 173418484
ethane;(E)-oct-4-ene
CID 142055407
ethane;pent-1-ene;propane
CID 162735255

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethoxybutan-1-imine?
The IUPAC name of ethane;(Z)-N-ethoxybutan-1-imine (CID 164540102) is ethane;(Z)-N-ethoxybutan-1-imine.
What is the SMILES notation for ethane;(Z)-N-ethoxybutan-1-imine?
The canonical SMILES for ethane;(Z)-N-ethoxybutan-1-imine is CC.CCC/C=N\OCC.
What is the InChIKey of ethane;(Z)-N-ethoxybutan-1-imine?
The InChIKey is IWZCTIFHLJOXOG-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-3-5-6-7-8-4-2;1-2/h6H,3-5H2,1-2H3;1-2H3/b7-6-;.
What are the key properties of ethane;(Z)-N-ethoxybutan-1-imine?
ethane;(Z)-N-ethoxybutan-1-imine has a molecular weight of 145.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethoxybutan-1-imine is sourced from PubChem (CID 164540102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).