2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol

C18H27NO2 — CID 44565281

IUPAC2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol
SMILESCCCCC(/C=N/C(CC)CO)=C\c1ccc(OC)cc1
InChIInChI=1S/C18H27NO2/c1-4-6-7-16(13-19-17(5-2)14-20)12-15-8-10-18(21-3)11-9-15/h8-13,17,20H,4-7,14H2,1-3H3/b16-12+,19-13+
InChIKeyRWVOIMONMKTTRI-BLAZZTHISA-N
MW289.42 g/mol
LogP4.11
Rot. Bonds9

About 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol

2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol (PubChem CID 44565281) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol
PubChem CID44565281
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol
SMILESCCCCC(/C=N/C(CC)CO)=C\c1ccc(OC)cc1
InChIInChI=1S/C18H27NO2/c1-4-6-7-16(13-19-17(5-2)14-20)12-15-8-10-18(21-3)11-9-15/h8-13,17,20H,4-7,14H2,1-3H3/b16-12+,19-13+
InChIKeyRWVOIMONMKTTRI-BLAZZTHISA-N
XLogP4.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
CID 102005340
(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
CID 11178801
2-[(4-methoxyphenyl)methylidene]-8-methylnonanoic acid
CID 67747447
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
CID 139785089
(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol
CID 10802265
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
N-[(E,2S,3R)-1,3-dihydroxy-5-(4-methoxyphenyl)pent-4-en-2-yl]hexanamide
CID 10734555

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol?
The IUPAC name of 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol (CID 44565281) is 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol.
What is the SMILES notation for 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol?
The canonical SMILES for 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol is CCCCC(/C=N/C(CC)CO)=C\c1ccc(OC)cc1.
What is the InChIKey of 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol?
The InChIKey is RWVOIMONMKTTRI-BLAZZTHISA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-6-7-16(13-19-17(5-2)14-20)12-15-8-10-18(21-3)11-9-15/h8-13,17,20H,4-7,14H2,1-3H3/b16-12+,19-13+.
What are the key properties of 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol?
2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-[(4-methoxyphenyl)methylidene]hexylidene]amino]butan-1-ol is sourced from PubChem (CID 44565281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).