N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine

C17H25NO — CID 156519396

IUPACN-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine
SMILESC=c1cc(OC)c(CCCCC)c/c1=C(C)/N=C/C
InChIInChI=1S/C17H25NO/c1-6-8-9-10-15-12-16(14(4)18-7-2)13(3)11-17(15)19-5/h7,11-12H,3,6,8-10H2,1-2,4-5H3/b16-14-,18-7+
InChIKeyPSUJQJLVKDVTIG-HZWJUJSNSA-N
MW259.39 g/mol
LogP3.06
Rot. Bonds6

About N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine

N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine (PubChem CID 156519396) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine
PubChem CID156519396
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine
SMILESC=c1cc(OC)c(CCCCC)c/c1=C(C)/N=C/C
InChIInChI=1S/C17H25NO/c1-6-8-9-10-15-12-16(14(4)18-7-2)13(3)11-17(15)19-5/h7,11-12H,3,6,8-10H2,1-2,4-5H3/b16-14-,18-7+
InChIKeyPSUJQJLVKDVTIG-HZWJUJSNSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.06
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

(5E)-5-[fluoro(methylsulfanyl)methylidene]-2-methoxy-6-methylidene-3-pentylcyclohexa-1,3-diene
CID 156519231
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
2,4-dimethoxy-6-pentylphenol
CID 13197794
1,4-dimethoxy-2-(2-nitroprop-1-enyl)-5-pentylbenzene
CID 154270012
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2,6,10-trimethoxy-3,7-dioctoxy-11-octyltriphenylene
CID 20661278
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
CID 71424697
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine?
The IUPAC name of N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine (CID 156519396) is N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine.
What is the SMILES notation for N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine?
The canonical SMILES for N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine is C=c1cc(OC)c(CCCCC)c/c1=C(C)/N=C/C.
What is the InChIKey of N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine?
The InChIKey is PSUJQJLVKDVTIG-HZWJUJSNSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-8-9-10-15-12-16(14(4)18-7-2)13(3)11-17(15)19-5/h7,11-12H,3,6,8-10H2,1-2,4-5H3/b16-14-,18-7+.
What are the key properties of N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine?
N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine has a molecular weight of 259.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(4-methoxy-6-methylidene-3-pentylcyclohexa-2,4-dien-1-ylidene)ethyl]ethanimine is sourced from PubChem (CID 156519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).