2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine

C15H24N2O — CID 163698473

IUPAC2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine
SMILESC=C=C/C(C)=C\C=C(/C)OCCC/C(CN)=N/C
InChIInChI=1S/C15H24N2O/c1-5-7-13(2)9-10-14(3)18-11-6-8-15(12-16)17-4/h7,9-10H,1,6,8,11-12,16H2,2-4H3/b13-9-,14-10+,17-15-
InChIKeyJYXNENTUGJTOPR-VGCZPTDHSA-N
MW248.37 g/mol
LogP3.00
Rot. Bonds8

About 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine

2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine (PubChem CID 163698473) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine.

Molecular Properties

Compound Name2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine
PubChem CID163698473
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine
SMILESC=C=C/C(C)=C\C=C(/C)OCCC/C(CN)=N/C
InChIInChI=1S/C15H24N2O/c1-5-7-13(2)9-10-14(3)18-11-6-8-15(12-16)17-4/h7,9-10H,1,6,8,11-12,16H2,2-4H3/b13-9-,14-10+,17-15-
InChIKeyJYXNENTUGJTOPR-VGCZPTDHSA-N
XLogP3.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine with MolForge

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Related Compounds

(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
(2Z,4E)-2-(methylideneamino)-5-(4,4,4-trifluorobutoxy)hexa-2,4-dienoic acid
CID 166951328
3-ethoxypropyl buta-2,3-dienoate
CID 90940644
2-methyliminobutan-1-amine
CID 59938695
7-fluoro-4-methylhepta-1,2,4-triene
CID 57085200
2-penta-2,4-dien-2-yloxyethanol
CID 123362544
butyl 2-[ethyl(penta-1,3,4-trien-2-yl)amino]propanoate
CID 134504838
4-[(E)-hept-2-en-2-yl]oxybutanoic acid
CID 142940383
2-[(Z)-1-iodoprop-1-en-2-yl]oxyethanamine
CID 58346216
4-methylhex-4-enyl 3-oxobutanoate
CID 141218480
2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
CID 134458425

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine?
The IUPAC name of 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine (CID 163698473) is 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine.
What is the SMILES notation for 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine?
The canonical SMILES for 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine is C=C=C/C(C)=C\C=C(/C)OCCC/C(CN)=N/C.
What is the InChIKey of 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine?
The InChIKey is JYXNENTUGJTOPR-VGCZPTDHSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-7-13(2)9-10-14(3)18-11-6-8-15(12-16)17-4/h7,9-10H,1,6,8,11-12,16H2,2-4H3/b13-9-,14-10+,17-15-.
What are the key properties of 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine?
2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-5-[(2E,4Z)-5-methylocta-2,4,6,7-tetraen-2-yl]oxypentan-1-amine is sourced from PubChem (CID 163698473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).