N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine

C17H27NO3 — CID 54333436

IUPACN-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine
SMILESCCC=NOC(C)CCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO3/c1-5-12-18-21-15(4)11-13-19-16-7-9-17(10-8-16)20-14(3)6-2/h7-10,12,14-15H,5-6,11,13H2,1-4H3
InChIKeySZXZEEOHKCGCJD-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.43
Rot. Bonds10

About N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine

N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine (PubChem CID 54333436) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine.

Molecular Properties

Compound NameN-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine
PubChem CID54333436
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine
SMILESCCC=NOC(C)CCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO3/c1-5-12-18-21-15(4)11-13-19-16-7-9-17(10-8-16)20-14(3)6-2/h7-10,12,14-15H,5-6,11,13H2,1-4H3
InChIKeySZXZEEOHKCGCJD-UHFFFAOYSA-N
XLogP4.43
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-butan-2-yloxy-4-decoxybenzene
CID 14833183
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
4-butan-2-yloxyaniline
CID 13097722
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
N-[2-(4-butan-2-ylsulfanylphenoxy)propoxy]propan-1-imine
CID 88668793
1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996187
2-(4-butan-2-yloxyphenoxy)ethylcarbamothioic S-acid
CID 88525877
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
CID 14552663
4-butan-2-yloxy-N-methylaniline
CID 54803415
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
2-(4-hexan-2-yloxyphenoxy)ethanol
CID 15764890

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine?
The IUPAC name of N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine (CID 54333436) is N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine.
What is the SMILES notation for N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine?
The canonical SMILES for N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine is CCC=NOC(C)CCOc1ccc(OC(C)CC)cc1.
What is the InChIKey of N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine?
The InChIKey is SZXZEEOHKCGCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-12-18-21-15(4)11-13-19-16-7-9-17(10-8-16)20-14(3)6-2/h7-10,12,14-15H,5-6,11,13H2,1-4H3.
What are the key properties of N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine?
N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine has a molecular weight of 293.41 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-yloxyphenoxy)butan-2-yloxy]propan-1-imine is sourced from PubChem (CID 54333436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).