methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine

C15H27NO — CID 142914051

IUPACmethanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
SMILESC=N/C(C)=C(/C=C\C=C\C(C)C)C(C)C.CO
InChIInChI=1S/C14H23N.CH4O/c1-11(2)9-7-8-10-14(12(3)4)13(5)15-6;1-2/h7-12H,6H2,1-5H3;2H,1H3/b9-7+,10-8-,14-13-;
InChIKeyYZXPRYIZUJKEBA-UYEYKSOQSA-N
MW237.39 g/mol
LogP3.99
Rot. Bonds5

About methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine

methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine (PubChem CID 142914051) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine.

Molecular Properties

Compound Namemethanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
PubChem CID142914051
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namemethanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
SMILESC=N/C(C)=C(/C=C\C=C\C(C)C)C(C)C.CO
InChIInChI=1S/C14H23N.CH4O/c1-11(2)9-7-8-10-14(12(3)4)13(5)15-6;1-2/h7-12H,6H2,1-5H3;2H,1H3/b9-7+,10-8-,14-13-;
InChIKeyYZXPRYIZUJKEBA-UYEYKSOQSA-N
XLogP3.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine with MolForge

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Related Compounds

(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
CID 143179435
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
CID 58515107
ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
CID 143010225
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
CID 126704572
ethane;(2E,3Z,5Z)-2-ethylidene-7-methylocta-3,5-dienenitrile
CID 142062606
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
CID 167248501
[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
CID 137490290
N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
CID 143969033

Frequently Asked Questions

What is the IUPAC name of methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine?
The IUPAC name of methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine (CID 142914051) is methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine.
What is the SMILES notation for methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine?
The canonical SMILES for methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine is C=N/C(C)=C(/C=C\C=C\C(C)C)C(C)C.CO.
What is the InChIKey of methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine?
The InChIKey is YZXPRYIZUJKEBA-UYEYKSOQSA-N. The full InChI is InChI=1S/C14H23N.CH4O/c1-11(2)9-7-8-10-14(12(3)4)13(5)15-6;1-2/h7-12H,6H2,1-5H3;2H,1H3/b9-7+,10-8-,14-13-;.
What are the key properties of methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine?
methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine has a molecular weight of 237.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine is sourced from PubChem (CID 142914051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).