(E)-N-butoxy-2-chloroethanimine

C6H12ClNO — CID 18926175

IUPAC(E)-N-butoxy-2-chloroethanimine
SMILESCCCCO/N=C/CCl
InChIInChI=1S/C6H12ClNO/c1-2-3-6-9-8-5-4-7/h5H,2-4,6H2,1H3/b8-5+
InChIKeyCIUIRLJASHBNCA-VMPITWQZSA-N
MW149.62 g/mol
LogP2.03
Rot. Bonds5

About (E)-N-butoxy-2-chloroethanimine

(E)-N-butoxy-2-chloroethanimine (PubChem CID 18926175) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (E)-N-butoxy-2-chloroethanimine.

Molecular Properties

Compound Name(E)-N-butoxy-2-chloroethanimine
PubChem CID18926175
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(E)-N-butoxy-2-chloroethanimine
SMILESCCCCO/N=C/CCl
InChIInChI=1S/C6H12ClNO/c1-2-3-6-9-8-5-4-7/h5H,2-4,6H2,1H3/b8-5+
InChIKeyCIUIRLJASHBNCA-VMPITWQZSA-N
XLogP2.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
sulfanyl (1E)-N-butoxymethanimidothioate
CID 137490278
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 88710767
(1E)-1-butoxyiminopropan-2-amine
CID 58684780
(2E)-2-butoxyiminoacetic acid
CID 88725483
(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004
(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
(E)-N-octoxy-1-phenylmethanimine
CID 25012804

Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxy-2-chloroethanimine?
The IUPAC name of (E)-N-butoxy-2-chloroethanimine (CID 18926175) is (E)-N-butoxy-2-chloroethanimine.
What is the SMILES notation for (E)-N-butoxy-2-chloroethanimine?
The canonical SMILES for (E)-N-butoxy-2-chloroethanimine is CCCCO/N=C/CCl.
What is the InChIKey of (E)-N-butoxy-2-chloroethanimine?
The InChIKey is CIUIRLJASHBNCA-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-2-3-6-9-8-5-4-7/h5H,2-4,6H2,1H3/b8-5+.
What are the key properties of (E)-N-butoxy-2-chloroethanimine?
(E)-N-butoxy-2-chloroethanimine has a molecular weight of 149.62 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butoxy-2-chloroethanimine is sourced from PubChem (CID 18926175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).