ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine

C38H61N3 — CID 143441360

IUPACethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine
SMILESC=C(CCCC(CCC)/C(C=C(C)C)=N/C(C)=C(C)C)CCc1ccccc1.C=NC.CC.CCc1cccnc1
InChIInChI=1S/C27H41N.C7H9N.C2H5N.C2H6/c1-8-13-26(27(20-21(2)3)28-24(7)22(4)5)17-12-14-23(6)18-19-25-15-10-9-11-16-25;1-2-7-4-3-5-8-6-7;1-3-2;1-2/h9-11,15-16,20,26H,6,8,12-14,17-19H2,1-5,7H3;3-6H,2H2,1H3;1H2,2H3;1-2H3/b28-27+;;;
InChIKeyOJGZRAFDOOQKDT-TYMWBDRGSA-N
MW559.93 g/mol
LogP11.47
Rot. Bonds13

About ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine

ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine (PubChem CID 143441360) has the molecular formula C38H61N3 and a molecular weight of 559.93 g/mol. Its IUPAC name is ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine.

Molecular Properties

Compound Nameethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine
PubChem CID143441360
Molecular FormulaC38H61N3
Molecular Weight559.93 g/mol
Exact Mass559.49
IUPAC Nameethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine
SMILESC=C(CCCC(CCC)/C(C=C(C)C)=N/C(C)=C(C)C)CCc1ccccc1.C=NC.CC.CCc1cccnc1
InChIInChI=1S/C27H41N.C7H9N.C2H5N.C2H6/c1-8-13-26(27(20-21(2)3)28-24(7)22(4)5)17-12-14-23(6)18-19-25-15-10-9-11-16-25;1-2-7-4-3-5-8-6-7;1-3-2;1-2/h9-11,15-16,20,26H,6,8,12-14,17-19H2,1-5,7H3;3-6H,2H2,1H3;1H2,2H3;1-2H3/b28-27+;;;
InChIKeyOJGZRAFDOOQKDT-TYMWBDRGSA-N
XLogP11.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.93
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethylbenzene;3-ethylpyridine
CID 145171299
[(3Z)-4-[[(E)-9-(1H-indol-3-yl)-5-propyl-2-(pyridin-3-ylmethylamino)non-2-en-4-ylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
CID 145499346
3-ethylpyridine;[(3E)-4-methylhexa-1,3-dien-3-yl] thiohypofluorite;1-methyl-2-(6-methyl-4-methylidene-3-propylhept-5-enyl)benzene;prop-1-ene
CID 145499407
2-(2-methylidene-4-phenylbutyl)octanal
CID 164683667
3-ethylpyridine
CID 10823
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine
CID 143617286
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
1-pyridin-3-ylundecan-3-ol
CID 105085819

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine?
The IUPAC name of ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine (CID 143441360) is ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine.
What is the SMILES notation for ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine?
The canonical SMILES for ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine is C=C(CCCC(CCC)/C(C=C(C)C)=N/C(C)=C(C)C)CCc1ccccc1.C=NC.CC.CCc1cccnc1.
What is the InChIKey of ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine?
The InChIKey is OJGZRAFDOOQKDT-TYMWBDRGSA-N. The full InChI is InChI=1S/C27H41N.C7H9N.C2H5N.C2H6/c1-8-13-26(27(20-21(2)3)28-24(7)22(4)5)17-12-14-23(6)18-19-25-15-10-9-11-16-25;1-2-7-4-3-5-8-6-7;1-3-2;1-2/h9-11,15-16,20,26H,6,8,12-14,17-19H2,1-5,7H3;3-6H,2H2,1H3;1H2,2H3;1-2H3/b28-27+;;;.
What are the key properties of ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine?
ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine has a molecular weight of 559.93 g/mol, XLogP of 11.47, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylpyridine;N-methylmethanimine;2-methyl-N-(3-methylbut-2-en-2-yl)-9-methylidene-11-phenyl-5-propylundec-2-en-4-imine is sourced from PubChem (CID 143441360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).