ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine

C22H39NO — CID 142240528

IUPACethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine
SMILESC/C=N/C(CCCCOCc1ccc(C)cc1)=C(C)C.CC.CC
InChIInChI=1S/C18H27NO.2C2H6/c1-5-19-18(15(2)3)8-6-7-13-20-14-17-11-9-16(4)10-12-17;2*1-2/h5,9-12H,6-8,13-14H2,1-4H3;2*1-2H3/b19-5+;;
InChIKeyPXNHLWJNAOOXEU-NGONDPLUSA-N
MW333.56 g/mol
LogP7.12
Rot. Bonds8

About ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine

ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine (PubChem CID 142240528) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine.

Molecular Properties

Compound Nameethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine
PubChem CID142240528
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Nameethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine
SMILESC/C=N/C(CCCCOCc1ccc(C)cc1)=C(C)C.CC.CC
InChIInChI=1S/C18H27NO.2C2H6/c1-5-19-18(15(2)3)8-6-7-13-20-14-17-11-9-16(4)10-12-17;2*1-2/h5,9-12H,6-8,13-14H2,1-4H3;2*1-2H3/b19-5+;;
InChIKeyPXNHLWJNAOOXEU-NGONDPLUSA-N
XLogP7.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(octoxymethyl)benzene
CID 86156710
6-[(4-phenylphenyl)methoxy]hexan-2-one
CID 67703506
6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
6-[[4-(N-[4-[4-(N-[4-(6-hydroxyhexoxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methoxy]hexan-1-ol
CID 68881964
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
8-methylnon-8-enoxymethylbenzene
CID 10776845
2-bromo-2-chloro-5-[(4-methylphenyl)methoxy]pentanoic acid
CID 70459180
1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
CID 10702431
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine?
The IUPAC name of ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine (CID 142240528) is ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine.
What is the SMILES notation for ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine?
The canonical SMILES for ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine is C/C=N/C(CCCCOCc1ccc(C)cc1)=C(C)C.CC.CC.
What is the InChIKey of ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine?
The InChIKey is PXNHLWJNAOOXEU-NGONDPLUSA-N. The full InChI is InChI=1S/C18H27NO.2C2H6/c1-5-19-18(15(2)3)8-6-7-13-20-14-17-11-9-16(4)10-12-17;2*1-2/h5,9-12H,6-8,13-14H2,1-4H3;2*1-2H3/b19-5+;;.
What are the key properties of ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine?
ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine has a molecular weight of 333.56 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-methyl-7-[(4-methylphenyl)methoxy]hept-2-en-3-yl]ethanimine is sourced from PubChem (CID 142240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).