(E)-N-(3-methoxypropoxy)butan-1-imine

C8H17NO2 — CID 172988746

IUPAC(E)-N-(3-methoxypropoxy)butan-1-imine
SMILESCCC/C=N/OCCCOC
InChIInChI=1S/C8H17NO2/c1-3-4-6-9-11-8-5-7-10-2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyLNASZOZEAXQGKS-RMKNXTFCSA-N
MW159.23 g/mol
LogP1.83
Rot. Bonds7

About (E)-N-(3-methoxypropoxy)butan-1-imine

(E)-N-(3-methoxypropoxy)butan-1-imine (PubChem CID 172988746) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (E)-N-(3-methoxypropoxy)butan-1-imine.

Molecular Properties

Compound Name(E)-N-(3-methoxypropoxy)butan-1-imine
PubChem CID172988746
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(E)-N-(3-methoxypropoxy)butan-1-imine
SMILESCCC/C=N/OCCCOC
InChIInChI=1S/C8H17NO2/c1-3-4-6-9-11-8-5-7-10-2/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyLNASZOZEAXQGKS-RMKNXTFCSA-N
XLogP1.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-N-pentoxypentan-1-imine
CID 18714719
ethane;(Z)-N-ethoxybutan-1-imine
CID 164540102
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N-butoxy-2-chloroethanimine
CID 18926175
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004
(Z)-1-methoxynon-4-ene
CID 59123720
(E)-1-(3-methoxypropoxy)hex-3-ene
CID 118978200
1-butoxy-4-methoxybutane
CID 13082830
(E)-1-methoxyhept-3-ene
CID 13049937

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxypropoxy)butan-1-imine?
The IUPAC name of (E)-N-(3-methoxypropoxy)butan-1-imine (CID 172988746) is (E)-N-(3-methoxypropoxy)butan-1-imine.
What is the SMILES notation for (E)-N-(3-methoxypropoxy)butan-1-imine?
The canonical SMILES for (E)-N-(3-methoxypropoxy)butan-1-imine is CCC/C=N/OCCCOC.
What is the InChIKey of (E)-N-(3-methoxypropoxy)butan-1-imine?
The InChIKey is LNASZOZEAXQGKS-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-6-9-11-8-5-7-10-2/h6H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (E)-N-(3-methoxypropoxy)butan-1-imine?
(E)-N-(3-methoxypropoxy)butan-1-imine has a molecular weight of 159.23 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxypropoxy)butan-1-imine is sourced from PubChem (CID 172988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).